SCHEMBL2225852

SCHEMBL2225852

O=C(O)Nc1ccc(C(F)(F)F)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.49
USP30 Q70CQ3 2/20 0.46
TRPV4 Q9HBA0 1/20 0.46
CYP2C9 P11712 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
SLC22A11 Q9NSA0 1/20 0.46
CLK2 P49760 1/20 0.45
DYRK1A Q13627 1/20 0.45
EPHX2 P34913 1/20 0.44
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
KCNE1 P15382 2/20 0.44
KCNQ1 P51787 2/20 0.44
HDAC4 P56524 1/20 0.43
HDAC11 Q96DB2 1/20 0.42
DGAT1 O75907 2/20 0.42
KCNJ11 Q14654 1/20 0.42
HIF1A Q16665 1/20 0.41

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
SCHEMBL29585632 1.00 TRPV1 (0.49) TRPV1USP30TRPV4CYP2C9SLC22A6
SCHEMBL27832974 0.86 KCNQ3 (0.42) TRPV1USP30KCNQ3KCNQ2KCNE1
SCHEMBL21341996 0.84 ALDH1A1 (0.52) TRPV1USP30TRPV4CYP2C9SLC22A6
SCHEMBL9906890 0.84 KDM4E (0.55) TRPV1USP30CYP2C9SLC22A6SLC22A8
SCHEMBL15540776 0.83 TRPV1 (0.44) TRPV1USP30TRPV4CYP2C9SLC22A6
SCHEMBL23213553 0.82 P4HTM (0.45) TRPV1KCNQ3KCNQ2
SCHEMBL24974096 0.81 MAPT (0.50) TRPV1USP30CLK2DYRK1AEPHX2
SCHEMBL3573330 0.81 SMN1; SMN2 (0.47) TRPV1USP30CYP2C9SLC22A6SLC22A8
SCHEMBL28940981 0.81 P4HTM (0.41) TRPV1KCNQ3KCNQ2KCNJ11
SCHEMBL20097426 0.80 ATM (0.53) TRPV1USP30EPHX2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-19 US claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN claimed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US claimed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
EP-3484894-B1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
EP-3484894-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS Bristol-Myers Squibb Company (US) 2019-05-22 EP claimed
CN-109689664-A The quinoline and azepine quinoline compound that tricyclic heteroaryl as PAR4 inhibitor replaces 百时美施贵宝公司 2019-04-26 CN claimed
WO-2018013776-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO claimed
WO-2024101172-A1 (HETERO)ARYL UREA COMPOUND AND INSECTICIDE 日本曹達株式会社 2024-05-16 WO disclosed
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-19 US disclosed
US-11873288-B2 Inhibitors for soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-16 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN disclosed
WO-2011083278-A1 NOVEL BENZOIC PYRROLOPYRIDINE DERIVATIVES LABORATOIRES FOURNIER SA (FR) 2011-07-14 WO disclosed
US-7666873-B2 N-phenyl-(2R,5S)dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2010-02-23 US disclosed
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
US-7297698-B2 N-phenyl-(2R,5S) dimethylpiperazine derivative ASTELLAS PHARMA INC. (JP) 2007-11-20 US disclosed
US-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1557411-A1 N-PHENYL-(2R,5S)DIMETHYLPIPERADINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-07-27 EP 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 (5 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-20050261303-A1 N-phenyl-(2r,5s) dimethylpiperadine derivative BPHL, QDPR, SRD5A2 TRPV1 629/4885USP30 1952/4885TRPV4 557/4885
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, PARP14, F2R TRPV1 1269/4885USP30 4006/4885TRPV4 487/4885
US-11873288-B2 Inhibitors for soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH) FAAH, FAAH2, EPHX2 TRPV1 1742/4885USP30 389/4885TRPV4 3259/4885
US-20080214543-A1 N-Phenyl-(2R,5S)Dimethylpiperazine Derivative BPHL, AR, SRD5A2 TRPV1 1240/4885USP30 1894/4885TRPV4 914/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 TRPV1 1590/4885USP30 4631/4885TRPV4 323/4885

“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.