SCHEMBL4412901

SCHEMBL4412901

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
TACR1 P25103 1/20 0.48
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.44
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
CHRM4 P08173 1/20 0.43
NOS2 P35228 1/20 0.43
NR1H2 P55055 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
NAMPT P43490 1/20 0.41
STS P08842 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL28806298 0.89 DRD2 (0.46) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL4407822 0.85 OPRD1 (0.47) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL521464 0.85 NR1H2 (0.48) OPRD1OPRK1TACR1ALDH1A1TSHR
SCHEMBL6160544 0.85 CNR1 (0.47) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL7831565 0.84 GPR119 (0.54) OPRD1OPRK1TACR1ALDH1A1TSHR
SCHEMBL4293214 0.83 OPRM1 (0.49) OPRD1OPRK1TACR1ALDH1A1TSHR
SCHEMBL29892887 0.83 STS (0.50) OPRD1OPRK1TACR1ALDH1A1TSHR
SCHEMBL3028439 0.83 STS (0.50) OPRD1OPRK1TACR1ALDH1A1TSHR
SCHEMBL19690249 0.83 TSHR (0.46) OPRD1OPRK1TACR1ALDH1A1TSHR
SCHEMBL2582728 0.82 TACR1 (0.51) OPRD1OPRK1TACR1ALDH1A1TSHR

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.