SCHEMBL1104454

SCHEMBL1104454

CC(C)(C)C(=O)N1CCC(F)(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
EPHX2 P34913 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
RIPK1 Q13546 1/20 0.35
OPRD1 P41143 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
CNR2 P34972 2/20 0.34
PDK2 Q15119 1/20 0.34
CNR1 P21554 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
AOC2 O75106 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18702143 0.92 RIPK1 (0.38) CYP3A4EPHX2MEN1KMT2AALDH1A1
SCHEMBL13002698 0.88 DPP4 (0.41) CYP3A4EPHX2MEN1KMT2AALDH1A1
SCHEMBL1104455 0.85 CYP3A4 (0.39) CYP3A4EPHX2MEN1KMT2AALDH1A1
SCHEMBL18701844 0.84 EPHX2 (0.42) CYP3A4EPHX2MEN1KMT2AALDH1A1
SCHEMBL18701927 0.82 ADRA1A (0.38) EPHX2
SCHEMBL18701914 0.82 CYP3A4 (0.38) CYP3A4EPHX2MEN1KMT2AALDH1A1
SCHEMBL18701880 0.80 EPHX2 (0.43) CYP3A4EPHX2MEN1KMT2AALDH1A1
SCHEMBL13328857 0.80 CYP3A4 (0.41) CYP3A4EPHX2MEN1KMT2AALDH1A1
SCHEMBL18701845 0.80 SPR (0.35) EPHX2
SCHEMBL13223563 0.78 CYP3A4 (0.43) CYP3A4EPHX2MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
US-11220506-B2 Imidazo[1,5-a]pyrazine derivatives as PI3Kdelta inhibitors BEIGENE, LTD. (KY) 2022-01-11 US disclosed
US-20220002266-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-01-06 US disclosed
US-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-12-28 US disclosed
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11117892-B2 Pyrrolo-pyridine derivative compound, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of protein kinase-related diseases DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION 2021-09-14 US disclosed
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2020-10-08 US disclosed
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-07-30 US disclosed
US-20200207774-A1 IMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS PI3KDELTA INHIBITORS BEONE MEDICINES I GMBH (CH) 2020-07-02 US disclosed
US-20200207756-A1 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-07-02 US disclosed
US-7994176-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
US-7981918-B2 Cyclohexylpyrazole-lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-7968585-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2011-06-28 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 US disclosed
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-30 US disclosed
US-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BUSH JULIE KAY 2009-04-30 US disclosed
US-20090099182-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-16 US disclosed
US-20090099180-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220002266-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF ROCK1, ROCK2, RHOA CYP3A4 4154/4885EPHX2 1747/4885MEN1 2254/4885
US-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease LRRK2, WEE1, WEE2 CYP3A4 4382/4885EPHX2 3984/4885MEN1 1695/4885
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 CYP3A4 1608/4885EPHX2 1069/4885MEN1 4087/4885
US-20200207774-A1 IMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS PI3KDELTA INHIBITORS PIK3CD, PIK3R5, PIK3CA CYP3A4 2107/4885EPHX2 4316/4885MEN1 4245/4885
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 CYP3A4 4877/4885EPHX2 2483/4885MEN1 3908/4885
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE LRRK2, WEE1, WEE2 CYP3A4 4382/4885EPHX2 3984/4885MEN1 1695/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 CYP3A4 4647/4885EPHX2 4146/4885MEN1 4097/4885
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 CYP3A4 136/4885EPHX2 1765/4885MEN1 2040/4885
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MCL1, MKI67 CYP3A4 4727/4885EPHX2 2933/4885MEN1 3848/4885
US-11117892-B2 Pyrrolo-pyridine derivative compound, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of protein kinase-related diseases DYRK1A, DYRK2, DYRK1B CYP3A4 4492/4885EPHX2 3799/4885MEN1 3249/4885
US-20090111809-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 CYP3A4 311/4885EPHX2 873/4885MEN1 2001/4885
US-20200207756-A1 PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES DYRK1A, DYRK2, DYRK4 CYP3A4 4278/4885EPHX2 3890/4885MEN1 3257/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 CYP3A4 1426/4885EPHX2 1823/4885MEN1 1152/4885
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 CYP3A4 8/4885EPHX2 1273/4885MEN1 2773/4885
US-20090099180-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CYP3A4 255/4885EPHX2 835/4885MEN1 1986/4885
US-20090099182-A1 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CYP3A4 249/4885EPHX2 951/4885MEN1 1952/4885
US-11220506-B2 Imidazo[1,5-a]pyrazine derivatives as PI3Kdelta inhibitors PIK3CD, PIK3R5, PIK3CA CYP3A4 2107/4885EPHX2 4316/4885MEN1 4245/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.