SCHEMBL4985287

SCHEMBL4985287

COc1cc(CN2CCc3[c]nc(C(N)=O)nc3C2)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 1/20 0.48
REV1 Q9UBZ9 1/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CSF1R P07333 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4987158 0.97 MAPK1 (0.51) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL4983018 0.91 KMT2A (0.45) MEN1KMT2AMAPK1KDM4ELMNA
SCHEMBL4986695 0.85 KDM4E (0.52) MEN1KMT2AMAPK1KDM4ELMNA
SCHEMBL4984986 0.84 GRM2 (0.43) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4984714 0.83 KMT2A (0.44) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL4985028 0.82 KDM4E (0.45) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4982815 0.80 MEN1 (0.45) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL4986185 0.80 MC4R (0.44) MEN1KMT2A
SCHEMBL4985321 0.80 CFTR (0.44) SMN1; SMN2
SCHEMBL4986723 0.80 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 NPC1 2233/4885RAB9A 3422/4885MEN1 4853/4885

“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.