SCHEMBL4954835

SCHEMBL4954835

CCN(c1ccccc1)[C@@](CC(C)C)(C(N)=O)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.38
OPRM1 P35372 4/20 0.38
OPRK1 P41145 2/20 0.36
MAPT P10636 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4867357 0.86 KMT2A (0.40) OPRD1OPRM1KMT2AALDH1A1
SCHEMBL4866159 0.77 OPRD1 (0.41) OPRD1MAPTKMT2ASLC6A4SLC6A2
SCHEMBL4558669 0.67 CHRM3 (0.41) OPRD1MAPTSIGMAR1KMT2AALDH1A1
SCHEMBL4866544 0.67 CHRM3 (0.34) OPRM1MAPTSIGMAR1KMT2AALDH1A1
SCHEMBL4957427 0.67 KMT2A (0.39) OPRD1OPRM1OPRK1MAPTKMT2A
SCHEMBL4899599 0.66 CHRM3 (0.40) OPRD1MAPTSIGMAR1KMT2AALDH1A1
SCHEMBL2170767 0.66 MAPT (0.37) OPRD1OPRM1OPRK1MAPTKMT2A
SCHEMBL4559545 0.66 SIGMAR1 (0.44) OPRD1MAPTSIGMAR1KMT2AALDH1A1
SCHEMBL4559549 0.65 KMT2A (0.41) OPRD1MAPTSIGMAR1KMT2AALDH1A1
SCHEMBL9989678 0.65 KMT2A (0.43) OPRD1OPRM1SIGMAR1KMT2ASLC6A4

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-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2014-09-11 US disclosed
US-8772336-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2014-07-08 US disclosed
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 US disclosed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 US disclosed
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2008-08-07 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 (3 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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ OPRD1 3487/4885OPRM1 4786/4885OPRK1 3837/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ OPRD1 3955/4885OPRM1 4784/4885OPRK1 3567/4885
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders CTSE, CTSL, CTSK OPRD1 1848/4885OPRM1 2615/4885OPRK1 1186/4885

“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.