SCHEMBL18014757

SCHEMBL18014757

Cc1cc(-c2cccc([C@H](C)C(C)(C)C)n2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 3/20 0.44
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
CASP3 P42574 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
ATM Q13315 1/20 0.40
HSD17B14 Q9BPX1 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CASR P41180 1/20 0.37
IRAK4 Q9NWZ3 7/20 0.37
PFKFB3 Q16875 1/20 0.36
HSD11B1 P28845 1/20 0.35
AURKA O14965 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
SCHEMBL18014760 0.89 HSD11B1 (0.45) TRPV3HSD17B14HSD17B1HSD17B2CNR1
SCHEMBL2609346 0.85 TRPV3 (0.45) TRPV3MEN1NPC1CASP3RAB9A
SCHEMBL18014721 0.85 CNR2 (0.51) TRPV3HSD17B14CNR1CNR2IRAK4
SCHEMBL18014761 0.81 TRPV3 (0.40) TRPV3CNR1CNR2IRAK4PFKFB3
SCHEMBL18014723 0.78 CNR2 (0.47) TRPV3CNR1CNR2HSD11B1MAP4K4
SCHEMBL18014758 0.78 HSD11B1 (0.39) TRPV3MEN1NPC1RAB9AKMT2A
SCHEMBL18014762 0.78 CNR1 (0.35) TRPV3CNR1CNR2IRAK4MAP4K4
SCHEMBL18014763 0.77 ABL1 (0.41) TRPV3NPC1RAB9ACNR1CNR2
SCHEMBL18014759 0.76 CTSS (0.52) TRPV3ATMCNR1CNR2
SCHEMBL18014755 0.76 CTSA (0.38) TRPV3NPC1CASP3RAB9ASENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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 (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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 TRPV3 3597/4885MEN1 3008/4885NPC1 2271/4885

“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.