SCHEMBL9898451

SCHEMBL9898451

CNc1cc(N2CCC(C(F)(F)F)CC2)c(C(=O)OC)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
SCN10A Q9Y5Y9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CFTR P13569 3/20 0.37
OPRK1 P41145 5/20 0.35
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NR4A1 P22736 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
WDR5 P61964 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9897728 0.89 ALDH1A1 (0.40) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL9944799 0.86 ALDH1A1 (0.60) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL9898192 0.83 MAPT (0.43) ALDH1A1MAPTHPGDSCN10AOPRK1
SCHEMBL9946576 0.83 PTGES (0.45) SCN10A
SCHEMBL9898794 0.81 PTGES (0.48) SCN10ACFTR
SCHEMBL9946613 0.80 PTGES (0.46) SCN10A
SCHEMBL9946574 0.80 PTGES (0.46)
SCHEMBL16300080 0.79 PTGES (0.43)
SCHEMBL9899322 0.79 TRPV1 (0.33) ALDH1A1MAPTSCN10ANPSR1GAA
SCHEMBL9899272 0.79 PTGES (0.45)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
EP-2649051-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
WO-2012077783-A1 NOVEL DEPSIPEPTIDE PF1442 SUBSTANCE AND PROCESS FOR PRODUCTION THEREOF Meiji Seikaファルマ株式会社 (JP) 2012-06-14 WO disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (1 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES KDM4E 3442/4885NPC1 1695/4885RAB9A 1033/4885

“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.