SCHEMBL736768

SCHEMBL736768

O=C(NC1C[C@@H]2CC[C@H]1C2)n1c(=O)n(CCN2CCOCC2)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.71
CNR1 P21554 4/20 0.63
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HTR3A P46098 1/20 0.45
HTR4 Q13639 1/20 0.45

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
SCHEMBL736769 1.00 CNR2 (0.71) CNR2CNR1ALDH1A1KDM4ETMEM97
SCHEMBL737471 1.00 CNR2 (0.71) CNR2CNR1ALDH1A1KDM4ETMEM97
SCHEMBL737470 1.00 CNR2 (0.71) CNR2CNR1ALDH1A1KDM4ETMEM97
SCHEMBL737883 0.84 CNR2 (0.80) CNR2CNR1
SCHEMBL736660 0.82 CNR2 (0.74) CNR2CNR1ALDH1A1
SCHEMBL737757 0.82 CNR2 (0.80) CNR2CNR1
SCHEMBL737821 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL739583 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL737679 0.80 CNR2 (0.81) CNR2CNR1TMEM97SIGMAR1HTR3A
SCHEMBL737649 0.79 CNR2 (0.89) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US claimed
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US disclosed
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 EP disclosed
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 US disclosed
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS ANDO KAZUO 2009-07-16 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 (2 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-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES TRPV1, CNR1, CNR2 CNR2 3/4885CNR1 2/4885ALDH1A1 2502/4885
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS TRPV1, CNR1, CNR2 CNR2 3/4885CNR1 2/4885ALDH1A1 2949/4885

“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.