SCHEMBL4993429

SCHEMBL4993429

NC(=O)c1n[c]c2c(n1)CN(Cc1cccc(OC(F)(F)F)c1)CC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
AMPD2 Q01433 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
CHRM3 P20309 1/20 0.40
GRM2 Q14416 5/20 0.40
RIPK1 Q13546 2/20 0.40
ENPP2 Q13822 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.38
CHRM4 P08173 1/20 0.38
STAT3 P40763 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL4987928 0.89 TNF (0.44) DRD4DRD2
SCHEMBL4985028 0.88 KDM4E (0.45) DRD2GRM2OPRM1
SCHEMBL4993145 0.88 FAAH (0.47) GRM2
SCHEMBL4986723 0.87 KDM4E (0.46) L3MBTL1OPRM1
SCHEMBL4985480 0.86 FAAH (0.43) DRD2CHRM3GRM2L3MBTL1
SCHEMBL4985987 0.86 KDM4E (0.44) DRD4GPR52GRM2
SCHEMBL4988838 0.85 GRM2 (0.47) DRD2GRM2
SCHEMBL4986124 0.83 CLPP (0.42) GRM2
SCHEMBL4993338 0.83 CLPP (0.42) GRM2OPRM1
SCHEMBL4986167 0.83 GRM2 (0.41) DRD4GRM2

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 DRD4 3767/4885DRD2 3142/4885AMPD2 2221/4885

“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.