SCHEMBL3775701

SCHEMBL3775701

Cc1cccc(C=CC=C2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.47
CYP3A4 P08684 1/20 0.45
FBP1 P09467 1/20 0.41
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
MAPK1 P28482 4/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 4/20 0.37
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL3719860 1.00 GRM5 (0.47) GRM5CYP3A4FBP1ALDH1A1MAPT
SCHEMBL3710206 0.90 GRM5 (0.45) GRM5CYP3A4FBP1ALDH1A1MAPT
SCHEMBL3766932 0.90 GRM5 (0.45) GRM5CYP3A4FBP1ALDH1A1MAPT
SCHEMBL3773523 0.90 GRM5 (0.47) GRM5CYP3A4FBP1ALDH1A1MAPT
SCHEMBL3711478 0.90 GRM5 (0.47) GRM5CYP3A4FBP1ALDH1A1MAPT
SCHEMBL3771322 0.90 GRM5 (0.45) GRM5CYP3A4FBP1ALDH1A1MAPT
SCHEMBL3713971 0.90 GRM5 (0.45) GRM5CYP3A4FBP1ALDH1A1MAPT
SCHEMBL3775736 0.89 GRM5 (0.49) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL3720958 0.89 GRM5 (0.49) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL3721188 0.88 GRM5 (0.44) GRM5CYP3A4FBP1ALDH1A1MAPT

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.