SCHEMBL4983033

SCHEMBL4983033

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CLPP Q16740 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
COMT P21964 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACACB O00763 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
SCHEMBL4980850 0.90 OPRM1 (0.39) GRM2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4988549 0.88 GRM2 (0.43) GRM2CLPPKDM4EALDH1A1MEN1
SCHEMBL4985987 0.88 KDM4E (0.44) GRM2KDM4EALDH1A1PARP1
SCHEMBL4992359 0.87 MEN1 (0.41) GRM2CLPPMEN1KMT2AACACB
SCHEMBL4985463 0.87 GRM2 (0.39) GRM2CLPPKDM4EHIF1APARP1
SCHEMBL4987928 0.87 TNF (0.44) ALDH1A1ACACB
SCHEMBL4992456 0.86 MEN1 (0.40) GRM2CLPPKDM4EALDH1A1HRH3
SCHEMBL4989367 0.86 MEN1 (0.40) GRM2L3MBTL1CLPPKDM4EALDH1A1
SCHEMBL4984714 0.86 KMT2A (0.44) KDM4EALDH1A1PARP1PARP2MEN1
SCHEMBL4988919 0.85 C5AR1 (0.38) GRM2

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 GRM2 332/4885L3MBTL1 4476/4885CLPP 1470/4885

“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.