SCHEMBL3774081

SCHEMBL3774081

Cc1cccc(C=CC=C2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.51
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.39
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
GRM4 Q14833 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL3712439 1.00 GRM5 (0.51) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL3769611 0.92 GRM5 (0.46) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL3771345 0.92 GRM5 (0.46) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL3713371 0.92 GRM5 (0.46) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL3711247 0.92 GRM5 (0.46) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL3776621 0.90 GRM5 (0.45) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL3711563 0.90 GRM5 (0.45) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL3775736 0.86 GRM5 (0.49) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL3720958 0.86 GRM5 (0.49) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL3719860 0.84 GRM5 (0.47) GRM5CYP3A4ALDH1A1MAPTMAPK1

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 3028/4885ALDH1A1 2176/4885

“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.