SCHEMBL4987158

SCHEMBL4987158

COc1ccc(CN2CCc3[c]nc(C(N)=O)nc3C2)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
REV1 Q9UBZ9 1/20 0.46
CACNA1F O60840 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
SCHEMBL4985287 0.97 NPC1 (0.54) MAPK1HSD17B10NPC1RAB9AMEN1
SCHEMBL4983018 0.90 KMT2A (0.45) MAPK1MEN1KMT2AKDM4ELMNA
SCHEMBL4986695 0.86 KDM4E (0.52) MAPK1MEN1KMT2AKDM4ELMNA
SCHEMBL4984986 0.85 GRM2 (0.43) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4984714 0.83 KMT2A (0.44) MAPK1NPC1RAB9AMEN1KMT2A
SCHEMBL4985028 0.83 KDM4E (0.45) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL4982815 0.81 MEN1 (0.45) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL4986185 0.81 MC4R (0.44) MEN1KMT2A
SCHEMBL4985321 0.81 CFTR (0.44) SMN1; SMN2OPRM1OPRK1
SCHEMBL4986723 0.81 KDM4E (0.46) KDM4ELMNASMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 MAPK1 546/4885HSD17B10 4009/4885NPC1 2233/4885

“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.