SCHEMBL4991104

SCHEMBL4991104

NC(=O)c1n[c]c2c(n1)CN(Cc1ccc(F)cc1F)CC2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GPR6 P46095 3/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4988672 0.90 GRM2 (0.43) GRM2
SCHEMBL4988919 0.88 C5AR1 (0.38) GRM2
SCHEMBL4988549 0.85 GRM2 (0.43) GRM2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4988135 0.84 GRM2 (0.37) GRM2
SCHEMBL4988838 0.84 GRM2 (0.47) GRM2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4988442 0.83 ABCB1 (0.39) GRM2
SCHEMBL4990762 0.82 MTNR1B (0.47) GRM2GPR6
SCHEMBL4985212 0.82 DHFR (0.46) GRM2KDM4ETDP1
SCHEMBL4986746 0.80 ALDH1A1 (0.44) GRM2KDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL4990906 0.80 GRM2 (0.39) 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 332/4885KDM4E 4128/4885SMN1; SMN2 4369/4885

“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.