SCHEMBL6903141

SCHEMBL6903141

CC(C)N1CCCC[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
HRH3 Q9Y5N1 6/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MGLL Q99685 1/20 0.32
LIPE Q05469 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.30
ACHE P22303 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL681878 1.00 KDM4E (0.42) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL89043 1.00 KDM4E (0.42) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL16285870 0.98 KDM4E (0.41) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL1117927 0.98 KDM4E (0.41) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL21363734 0.98 KDM4E (0.41) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL21398619 0.98 KDM4E (0.41) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL19750189 0.98 KDM4E (0.41) KDM4EGAAHPGDHRH3ALDH1A1
SCHEMBL9963376 0.92
SCHEMBL681681 0.92
SCHEMBL17108529 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 US disclosed
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2023-11-16 US disclosed
US-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors INCYTE CORPORATION (US) 2023-10-03 US disclosed
US-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors INCYTE CORPORATION (US) 2023-10-03 US disclosed
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 EP disclosed
US-20230009843-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2023-01-12 US disclosed
US-20210315894-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-14 US disclosed
US-11091491-B2 Heterocyclic compounds as PI3K-y inhibitors INCYTE CORPORATION (US) 2021-08-17 US disclosed
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
WO-2011051673-A1 AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed
US-7834200-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-16 US disclosed
WO-2010116248-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-10-14 WO disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
US-20090048429-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7381827-B2 5-Ethoxy-4-(1-(benzyloxycarbonyl)-2-pyrrolidinylcarbonylamino)-5H-furan-2-one; purification by chromatography, selectively crystallization, or dynamic crystallization; useful for preparing caspase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-03 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 (13 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-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors PIK3CD, PIK3CG, PIK3R5 KDM4E 3824/4885GAA 185/4885HPGD 1135/4885
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1764/4885GAA 3525/4885HPGD 319/4885
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 KDM4E 508/4885GAA 1543/4885HPGD 861/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885GAA 3526/4885HPGD 325/4885
US-20210315894-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDK3, CDK1, CDK14 KDM4E 2119/4885GAA 4222/4885HPGD 3552/4885
US-11091491-B2 Heterocyclic compounds as PI3K-y inhibitors PIK3R5, PIK3CA, PIK3CD KDM4E 2567/4885GAA 221/4885HPGD 1736/4885
US-20090048429-A1 Processes and intermediates CASP1, CASP3, CASP5 KDM4E 2273/4885GAA 212/4885HPGD 656/4885
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN BRDT, BET1, BRD4 KDM4E 674/4885GAA 2403/4885HPGD 1327/4885
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 KDM4E 451/4885GAA 3214/4885HPGD 1256/4885
US-20230364070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 KDM4E 3981/4885GAA 2347/4885HPGD 337/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C KDM4E 2470/4885GAA 3150/4885HPGD 146/4885
US-20230009843-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD KDM4E 2567/4885GAA 221/4885HPGD 1736/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885GAA 3526/4885HPGD 325/4885

“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.