SCHEMBL4985162

SCHEMBL4985162

COc1ccc(CN2CCc3[c]nc(C(N)=O)nc3C2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
OPRM1 P35372 1/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4986738 0.93 HSP90AB1 (0.45) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL4990762 0.88 MTNR1B (0.47)
SCHEMBL4982815 0.87 MEN1 (0.45) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL4985321 0.85 CFTR (0.44) SMN1; SMN2OPRM1POLB
SCHEMBL4990688 0.84 KDM4E (0.46) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL4985028 0.84 KDM4E (0.45) KDM4EMEN1KMT2AOPRM1ALDH1A1
SCHEMBL4988442 0.84 ABCB1 (0.39) POLB
SCHEMBL4983018 0.83 KMT2A (0.45) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL4985271 0.83 MEN1 (0.37) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL4982516 0.83 DHFR (0.45) MEN1KMT2A

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 KDM4E 4128/4885SMN1; SMN2 4369/4885MEN1 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.