SCHEMBL736434

SCHEMBL736434

CNC(=O)[C@@H](NC(=O)n1c(=O)n(CCSC)c2c(C)cccc21)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.55
CNR1 P21554 6/20 0.55
MMP2 P08253 4/20 0.35
MMP3 P08254 4/20 0.35
MMP1 P03956 3/20 0.35
TNF P01375 2/20 0.35
ADAM17 P78536 2/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 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
SCHEMBL737763 0.89 CNR2 (0.58) CNR2CNR1
SCHEMBL761361 0.88 CNR2 (0.48) CNR2CNR1
SCHEMBL735942 0.87 CNR2 (0.55) CNR2CNR1
SCHEMBL739217 0.85 CNR2 (0.54) CNR2CNR1MMP2MMP3MMP1
SCHEMBL762518 0.84 CNR2 (0.53) CNR2CNR1
SCHEMBL4105879 0.81 CNR2 (0.35) CNR2CNR1
SCHEMBL737290 0.76 CNR2 (0.75) CNR2CNR1
SCHEMBL737328 0.76 CNR2 (0.77) CNR2CNR1
SCHEMBL736639 0.75 CNR2 (0.78) CNR2CNR1
SCHEMBL738879 0.74 CNR2 (0.57) 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 6 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
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US 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
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 2/4885MMP2 4257/4885
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS TRPV1, CNR1, CNR2 CNR2 3/4885CNR1 2/4885MMP2 4244/4885

“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.