SCHEMBL472491

SCHEMBL472491

Cc1nc(Cl)oc1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 5/20 0.41
PTGS1 P23219 3/20 0.41
MAPK14 Q16539 4/20 0.38
MAPK13 O15264 1/20 0.36
GCGR P47871 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TXN P10599 1/20 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
SCHEMBL472833 0.85 KDM4E (0.41) NPC1RAB9ATP53TSHRSMN1; SMN2
SCHEMBL472566 0.81 NPC1 (0.37) NPC1RAB9ATSHRSMN1; SMN2HSD17B10
SCHEMBL5545503 0.81 PTGS2 (0.54) NPC1RAB9ATP53TSHRSMN1; SMN2
SCHEMBL472556 0.81 MAPT (0.41) PTGS2MEN1KMT2AMAPT
SCHEMBL11754626 0.80 PTGS2 (0.50) NPC1RAB9ASMN1; SMN2HSD17B10PTGS2
SCHEMBL472426 0.80 NISCH (0.39) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL11754351 0.80 PTGS2 (0.50) NPC1RAB9ASMN1; SMN2HSD17B10PTGS2
SCHEMBL472410 0.80 ABL1 (0.40) PTGS2PTGS1MAPK14
SCHEMBL9955368 0.80 KDM4E (0.41) TP53MEN1KMT2AMAPT
SCHEMBL11751989 0.79 MAPK14 (0.50) NPC1RAB9ATP53TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 NPC1 237/4885RAB9A 1734/4885TP53 4241/4885

“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.