SCHEMBL4331792

SCHEMBL4331792

O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(C(=O)c2ccccn2)n2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.51
CNR1 P21554 3/20 0.51
EPHX2 P34913 3/20 0.48
EPHX1 P07099 2/20 0.48
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
AGTR1 P30556 1/20 0.43
OPRK1 P41145 1/20 0.43
RECQL P46063 1/20 0.43
PABPC1 P11940 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4331149 0.82 CNR2 (0.61) CNR2CNR1EPHX2EPHX1TSHR
SCHEMBL4326579 0.82 CNR2 (0.48) CNR2CNR1EPHX2RAB9ATSHR
SCHEMBL13578270 0.79 CNR2 (0.52) CNR2CNR1EPHX2TSHRALDH1A1
SCHEMBL14143325 0.79 CNR2 (0.50) CNR2CNR1TSHRALDH1A1KDM4E
SCHEMBL4325919 0.79 CNR2 (0.56) CNR2CNR1TSHRALDH1A1KDM4E
SCHEMBL13578376 0.79 CNR2 (0.61) CNR2CNR1
SCHEMBL4333473 0.78 CNR2 (0.51) CNR2CNR1EPHX2RAB9ATSHR
SCHEMBL4318442 0.78 CNR2 (0.51) CNR2CNR1EPHX2
SCHEMBL4324536 0.78 CNR2 (0.55) CNR2CNR1
SCHEMBL13578243 0.78 CNR2 (0.57) CNR2CNR1EPHX2RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885EPHX2 1915/4885

“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.