SCHEMBL6083933

SCHEMBL6083933

Cc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.60
ALOX5 P09917 1/20 0.58
GSTO1 P78417 1/20 0.56
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 2/20 0.55
XIAP P98170 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CNR2 P34972 2/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 1/20 0.53
CFTR P13569 1/20 0.53
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL966966 0.79 CNR2 (0.60) CNR1ALDH1A1CNR2MEN1KMT2A
SCHEMBL10810440 0.78 ALOX5 (0.76) ALOX5GSTO1ALDH1A1HSD17B10XIAP
SCHEMBL15086878 0.76 ALOX5 (0.74) ALOX5GSTO1ALDH1A1HSD17B10XIAP
SCHEMBL3577070 0.76 RAB9A (0.61) CNR1ALDH1A1CYP1A2CYP2C9CNR2
SCHEMBL2753853 0.76 ALOX5 (0.64) CNR1ALOX5GSTO1ALDH1A1HSD17B10
SCHEMBL18215318 0.75 ALOX5 (0.72) ALOX5GSTO1ALDH1A1HSD17B10XIAP
SCHEMBL11476839 0.75 ALOX5 (0.72) ALOX5GSTO1ALDH1A1HSD17B10XIAP
SCHEMBL4918014 0.75 CNR1 (1.00) CNR1ALDH1A1CNR2MAPK1MEN1
SCHEMBL17107156 0.74 ALDH1A1 (0.79) ALOX5GSTO1ALDH1A1HSD17B10XIAP
SCHEMBL3591075 0.74 CNR2 (0.56) CNR1ALDH1A1CNR2MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US claimed
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 WO disclosed
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 CNR1 91/4885ALOX5 1886/4885GSTO1 2599/4885

“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.