SCHEMBL3766932

SCHEMBL3766932

Cc1ccc([N+](=O)[O-])c(N2CCC(=CC=Cc3cccc(F)c3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.45
CYP3A4 P08684 1/20 0.44
FBP1 P09467 1/20 0.39
MAPT P10636 4/20 0.37
MAPK1 P28482 4/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 3/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL3710206 1.00 GRM5 (0.45) GRM5CYP3A4FBP1MAPTMAPK1
SCHEMBL3719860 0.90 GRM5 (0.47) GRM5CYP3A4FBP1MAPTMAPK1
SCHEMBL3775701 0.90 GRM5 (0.47) GRM5CYP3A4FBP1MAPTMAPK1
SCHEMBL3713971 0.88 GRM5 (0.45) GRM5CYP3A4FBP1MAPTMAPK1
SCHEMBL3771322 0.88 GRM5 (0.45) GRM5CYP3A4FBP1MAPTMAPK1
SCHEMBL3711478 0.88 GRM5 (0.47) GRM5CYP3A4FBP1MAPTMAPK1
SCHEMBL3773523 0.88 GRM5 (0.47) GRM5CYP3A4FBP1MAPTMAPK1
SCHEMBL3775736 0.88 GRM5 (0.49) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL3720958 0.88 GRM5 (0.49) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL3721188 0.87 GRM5 (0.44) GRM5CYP3A4FBP1MAPTMAPK1

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-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US claimed
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US disclosed

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-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GRIK5, HRH2 GRM5 1/4885CYP3A4 3028/4885FBP1 1248/4885

“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.