SCHEMBL2858438

SCHEMBL2858438

CCc1ccc(F)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 3/20 0.47
TRPA1 O75762 1/20 0.41
CYP2A6 P11509 1/20 0.40
RXRA P19793 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
PARP1 P09874 2/20 0.38
LMNA P02545 2/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FAAH O00519 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL2580785 0.88 NPSR1 (0.46) CYP1A2CYP2C9CYP2C19CYP2D6NPSR1
SCHEMBL2657319 0.83 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19CYP2D6NPSR1
SCHEMBL8436651 0.82 TRPA1 (0.41) CYP1A2CYP2C9CYP2C19CYP2D6NPSR1
SCHEMBL30655473 0.82 TRPA1 (0.41) CYP1A2CYP2C9CYP2C19CYP2D6NPSR1
SCHEMBL10263919 0.79 NPSR1 (0.50) CYP1A2CYP2C9CYP2C19CYP2D6NPSR1
SCHEMBL333551 0.79 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19CYP2D6NPSR1
SCHEMBL29418197 0.79 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19CYP2D6NPSR1
SCHEMBL11244115 0.79 KDM4E (0.49) CYP1A2CYP2C9CYP2C19CYP2D6NPSR1
SCHEMBL126441 0.78 TRPA1 (0.46) CYP1A2TRPA1CYP2A6ALDH1A1TAAR1
SCHEMBL4798301 0.78 TRPA1 (0.46) CYP1A2CYP2C9CYP2C19CYP2D6NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
US-11661397-B2 1,4-disubstituted imidazole derivative Sumitomo Pharma Co., Ltd. (JP) 2023-05-30 US disclosed
US-20210171440-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2021-06-10 US disclosed
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2021-04-27 US disclosed
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2021-04-27 US disclosed
US-10807945-B2 1,4-disubstituted imidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-10-20 US disclosed
US-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN RESEARCH & DEVELOPMENT, LLC 2020-02-06 US disclosed
US-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN RESEARCH & DEVELOPMENT, LLC 2020-02-06 US disclosed
CN-110461839-A JAK inhibitor containing 4 membered heterocyclic amides THERAVANCE BIOPHARMA R&D IP LLC 2019-11-15 CN disclosed
CN-110382498-A Fused imidazole-piperidine JAK inhibitors 施万生物制药研发IP有限责任公司 2019-10-25 CN disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
WO-2006062972-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-15 WO 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 (8 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-20200039914-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR55 CYP1A2 2052/4885CYP2C9 4604/4885CYP2C19 4507/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 CYP1A2 409/4885CYP2C9 81/4885CYP2C19 268/4885
US-20210171440-A1 1,4-DISUBSTITUTED IMIDAZOLE DERIVATIVE NR4A3, NR0B1, NR2C2 CYP1A2 676/4885CYP2C9 1657/4885CYP2C19 1381/4885
US-11661397-B2 1,4-disubstituted imidazole derivative NR4A3, NR0B1, NR2C2 CYP1A2 676/4885CYP2C9 1657/4885CYP2C19 1381/4885
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 CYP1A2 1513/4885CYP2C9 642/4885CYP2C19 1123/4885
US-10988433-B2 Cyclohexyl GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR55 CYP1A2 2052/4885CYP2C9 4604/4885CYP2C19 4507/4885
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 CYP1A2 1374/4885CYP2C9 421/4885CYP2C19 682/4885
US-10807945-B2 1,4-disubstituted imidazole derivative NR0B1, NR4A3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 605/4885CYP2C9 1249/4885CYP2C19 1073/4885

“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.