SCHEMBL15533276

SCHEMBL15533276

CC1(C)CN(c2ccc(OC(F)(F)F)cc2)C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.56
AR P10275 1/20 0.56
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LIPE Q05469 14/20 0.45
NR1H4 Q96RI1 1/20 0.42
CMA1 P23946 1/20 0.41

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
SCHEMBL12444394 0.81 AR (0.50) ARPOLB
SCHEMBL16702383 0.76 AR (0.54) OPRL1ARPOLBL3MBTL1CMA1
SCHEMBL5946591 0.76 OPRL1 (0.61) OPRL1LIPE
SCHEMBL5946590 0.76 OPRL1 (0.61) OPRL1LIPE
SCHEMBL16264819 0.74 AR (0.52) OPRL1ARPOLBL3MBTL1CMA1
SCHEMBL17912958 0.74 AR (0.52) OPRL1ARPOLBL3MBTL1CMA1
SCHEMBL25391026 0.74 POLB (0.42) OPRL1POLBL3MBTL1LIPE
SCHEMBL6177616 0.74 LIPE (0.46) OPRL1POLBL3MBTL1LIPE
SCHEMBL15533490 0.73 POLB (0.46) OPRL1POLBL3MBTL1LIPENR1H4
SCHEMBL19094530 0.72 OPRL1 (1.00) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181261-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2015-11-10 US disclosed
US-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2015-05-21 US disclosed
EP-2858501-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2015-04-15 EP disclosed
WO-2013176970-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2013-11-28 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 (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-20150141428-A1 TrkA Kinase Inhibitors, Compositions and Methods Thereof NGF, NGFR, NTRK1 OPRL1 211/4885AR 2303/4885POLB 1047/4885

“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.