SCHEMBL18014763

SCHEMBL18014763

C[C@@H](c1cccc(-c2ccc(Cl)c(Cl)c2)n1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.41
KMO O15229 5/20 0.41
TRPV3 Q8NET8 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
AHR P35869 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPY5R Q15761 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 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
SCHEMBL18014721 0.87 CNR2 (0.51) ABL1KMOTRPV3CNR1CNR2
SCHEMBL2609333 0.84 KMO (0.45) ABL1KMOTRPV3PIK3CAPIK3CB
SCHEMBL18014723 0.84 CNR2 (0.47) KMOTRPV3CNR1CNR2HSD11B1
SCHEMBL18014758 0.83 HSD11B1 (0.39) TRPV3CNR1CNR2NPC1RAB9A
SCHEMBL18014757 0.77 TRPV3 (0.44) TRPV3CNR1CNR2IRAK4NPC1
SCHEMBL18014760 0.77 HSD11B1 (0.45) KMOTRPV3CNR1CNR2IRAK4
SCHEMBL18014759 0.75 CTSS (0.52) KMOTRPV3CNR1CNR2KDM4E
SCHEMBL19625422 0.75 KMO (0.45) ABL1KMOPIK3CAPIK3CBPIK3CG
SCHEMBL18014761 0.75 TRPV3 (0.40) TRPV3CNR1CNR2IRAK4
SCHEMBL18014756 0.75 SCN9A (0.52) TRPV3

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 ABL1 3339/4885KMO 2579/4885TRPV3 3597/4885

“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.