SCHEMBL739956

SCHEMBL739956

CC(C)CCn1c(=O)n(C(=O)NCC(C)(C)CC(N)=O)c2ccncc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.49
CNR1 P21554 4/20 0.49
SORT1 Q99523 3/20 0.33
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
BLM P54132 1/20 0.31
PPP1CA P62136 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL739854 0.87 CNR2 (0.64) CNR2CNR1MAPTPOLB
SCHEMBL4385751 0.74 CNR2 (0.53) CNR2CNR1
SCHEMBL736776 0.72 CNR2 (0.51) CNR2CNR1GAA
SCHEMBL738286 0.71 CNR2 (0.61) CNR2CNR1GAA
SCHEMBL735903 0.69 CNR2 (0.48) CNR2CNR1
SCHEMBL4377379 0.67 L3MBTL1 (0.50) CNR2CNR1MAPTKDM4EALDH1A1
SCHEMBL737647 0.66 CNR2 (1.00) CNR2CNR1
SCHEMBL4379407 0.66 CNR2 (0.49) CNR2CNR1POLBALDH1A1
Hydrochloric Acid SCHEMBL736667 0.66 CNR2 (0.50) CNR2CNR1
SCHEMBL738422 0.65 CNR2 (0.47) 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 2 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 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 (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-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS TRPV1, CNR1, CNR2 CNR2 3/4885CNR1 2/4885SORT1 3875/4885

“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.