SCHEMBL4407822

SCHEMBL4407822

CC(C)(C)OC(=O)N1CCC(C#N)(c2cccc(CN)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
TACR1 P25103 1/20 0.45
KMT2A Q03164 1/20 0.41
CHRM4 P08173 1/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
JAK1 P23458 6/20 0.41
JAK2 O60674 5/20 0.41
OPRM1 P35372 1/20 0.39
F11 P03951 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NR1H2 P55055 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL4412901 0.85 OPRD1 (0.51) OPRD1OPRK1TACR1CHRM4TSHR
SCHEMBL29529542 0.84 GPR119 (0.45) TACR1KMT2ATSHRALOX15ATM
SCHEMBL2573823 0.84 STS (0.47) OPRD1OPRK1TACR1KMT2ATSHR
SCHEMBL4406762 0.84 CYP2D6 (0.47) OPRD1OPRK1TACR1KMT2ATSHR
SCHEMBL2701636 0.84 GPR119 (0.45) TACR1KMT2ATSHRALOX15ATM
SCHEMBL31158359 0.84 STS (0.47) OPRD1OPRK1TACR1KMT2ATSHR
SCHEMBL2782441 0.84 JAK2 (0.48) OPRD1OPRK1TACR1KMT2ATSHR
SCHEMBL2529921 0.83 CA12 (0.54) OPRD1OPRK1TACR1CHRM4TSHR
SCHEMBL3249093 0.83 KMT2A (0.63) TACR1KMT2ATSHRALOX15ATM
SCHEMBL31158311 0.83 KMT2A (0.63) TACR1KMT2ATSHRALOX15ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1740169-B Arylmethylamine derivatives for use as tryptase inhibitors AVENTIS PHARMA INC 2010-04-21 CN disclosed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
CN-1740169-A Arylmethylamine derivatives for use as tryptase inhibitors AVENTIS PHARMA INC (US) 2006-03-01 CN disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
CN-1230431-C Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2005-12-07 CN disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
CN-1439003-A Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2003-08-27 CN disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 OPRD1 1304/4885OPRK1 490/4885TACR1 289/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 OPRD1 1304/4885OPRK1 490/4885TACR1 289/4885

“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.