SCHEMBL1380915

SCHEMBL1380915

C[C@H](NC(=O)C1(c2ccccc2)CCC1)C(O)(Cc1ccc(Cl)cc1)c1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.43
CNR2 P34972 12/20 0.43
CTSL P07711 2/20 0.42
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TRPA1 O75762 1/20 0.38
PIN1 Q13526 1/20 0.37

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
SCHEMBL1381012 0.79 CNR1 (0.48) CNR1CNR2CYP3A4
SCHEMBL4827948 0.77 CNR1 (0.69) CNR1CNR2
SCHEMBL4825558 0.77 CNR1 (0.69) CNR1CNR2
SCHEMBL14064713 0.77 CNR1 (0.69) CNR1CNR2
SCHEMBL4829785 0.76 CNR1 (0.69) CNR1CNR2
SCHEMBL1380573 0.75 CNR1 (0.43) CNR1CNR2CYP3A4
SCHEMBL4825555 0.75 CNR1 (0.68) CNR1CNR2
SCHEMBL4822971 0.71 CNR1 (0.66) CNR1CNR2
SCHEMBL5203327 0.70 TRPA1 (0.51) CNR1CNR2CYP3A4TRPA1
SCHEMBL12370774 0.69 CNR1 (0.69) CNR1CNR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP claimed
JP-4719469-B2 2011-07-06 JP claimed
EP-1575901-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2009-03-18 EP claimed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US claimed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 US claimed
JP-2006510716-A 2006-03-30 JP claimed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 EP claimed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO claimed
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
US-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 US disclosed
EP-1575901-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2009-03-18 EP disclosed
US-20080194645-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 US disclosed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 EP disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO 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-20060106071-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CTSL 359/4885
US-20080194645-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CTSL 359/4885

“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.