SCHEMBL4989374

SCHEMBL4989374

NC(=O)c1n[c]c2c(n1)CN(Cc1ccc(Oc3ccccc3)cc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
FAAH O00519 3/20 0.42
MGLL Q99685 3/20 0.42
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 1/20 0.39
LTA4H P09960 2/20 0.38
CFTR P13569 1/20 0.38
BTK Q06187 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL4986723 0.91 KDM4E (0.46) FAAHMGLLOPRM1OPRD1OPRK1
SCHEMBL4984714 0.91 KMT2A (0.44) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL4985321 0.88 CFTR (0.44) HRH3OPRM1OPRK1ABCB1CFTR
SCHEMBL4986796 0.87 MEN1 (0.44) FAAHMEN1KMT2AABCB1CFTR
SCHEMBL4986185 0.86 MC4R (0.44) FAAHMEN1KMT2A
SCHEMBL4992359 0.85 MEN1 (0.41) MEN1KMT2A
SCHEMBL4987928 0.85 TNF (0.44)
SCHEMBL4990759 0.85 GRM2 (0.40) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL4992456 0.84 MEN1 (0.40) HRH3FAAHMEN1KMT2A
SCHEMBL4988549 0.84 GRM2 (0.43) OPRM1OPRK1MEN1KMT2ACFTR

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 HRH3 1013/4885FAAH 494/4885MGLL 2944/4885

“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.