SCHEMBL4991236

SCHEMBL4991236

NC(=O)c1n[c]c2c(n1)CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)CC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.37
P2RX7 Q99572 1/20 0.37
KCNH2 Q12809 2/20 0.35
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 4/20 0.34
USP2 O75604 3/20 0.34
TSHR P16473 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 2/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
VNN1 O95497 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4984928 0.86 GRM5 (0.51) GRM5P2RX7
SCHEMBL4989566 0.86 GAA (0.45) KCNH2TSHR
SCHEMBL4989744 0.83 ALDH1A1 (0.51) GRM5KCNH2
SCHEMBL4982974 0.82 GRM5 (0.45) GRM5KCNH2
SCHEMBL4988635 0.82 EPHX2 (0.39)
SCHEMBL4988856 0.80 GRM5 (0.39) GRM5KCNH2CYP3A4CYP1A2
SCHEMBL4984810 0.80 KMT2A (0.43) GRM5
SCHEMBL4993426 0.79 KMT2A (0.40) GRM5P2RX7
SCHEMBL4985620 0.78 PTGS1 (0.43) GRM5KCNH2TSHRCYP2C9
SCHEMBL4983028 0.78 HPGD (0.44)

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 GRM5 231/4885P2RX7 1/4885KCNH2 743/4885

“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.