SCHEMBL4985271

SCHEMBL4985271

COc1ccc(CN2CCc3[c]nc(C(N)=O)nc3C2)c(Cl)c1OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
APOBEC3A P31941 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ACHE P22303 1/20 0.33

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
SCHEMBL4986763 0.87 MEN1 (0.42) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL4982815 0.84 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL4985162 0.83 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL4986738 0.83 HSP90AB1 (0.45) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL4990688 0.83 KDM4E (0.46) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL4983018 0.82 KMT2A (0.45) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL4988442 0.80 ABCB1 (0.39) MAPT
SCHEMBL4985321 0.80 CFTR (0.44) MAPTOPRK1
SCHEMBL4986695 0.80 KDM4E (0.52) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL4985212 0.79 DHFR (0.46) KDM4E

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 MEN1 4853/4885KMT2A 4614/4885CYP2C19 1078/4885

“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.