SCHEMBL1101959

SCHEMBL1101959

CC(C)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.77
OPRD1 P41143 1/20 0.70
OPRK1 P41145 1/20 0.70
OPRL1 P41146 1/20 0.70
PLD1 Q13393 3/20 0.65
CHRM2 P08172 1/20 0.64
CHRM4 P08173 1/20 0.64
CHRM1 P11229 1/20 0.64
CHRM3 P20309 1/20 0.64
PLD2 O14939 2/20 0.64
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62

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
SCHEMBL7961184 0.87 OPRM1 (1.00) OPRM1OPRD1OPRK1OPRL1PLD1
SCHEMBL4918579 0.85 OPRM1 (0.67) OPRM1OPRD1OPRK1OPRL1PLD1
SCHEMBL25160058 0.84 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1PLD1
SCHEMBL4152396 0.84 CYP2D6 (0.70) OPRM1OPRD1OPRK1OPRL1PLD1
SCHEMBL14410199 0.84 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1PLD1
SCHEMBL319049 0.83 CHRM1 (0.70) OPRM1OPRK1OPRL1PLD1CHRM2
SCHEMBL9057334 0.83 OPRM1 (0.91) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL31422682 0.83 OPRM1 (0.75) OPRM1OPRD1OPRK1OPRL1PLD1
SCHEMBL31422674 0.83 OPRM1 (0.71) OPRM1OPRD1OPRK1OPRL1PLD1
SCHEMBL9057503 0.83 OPRM1 (0.91) OPRM1OPRD1OPRK1OPRL1CHRM2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
US-10172821-B2 Histone deacetylase inhibitors President & Fellows of Harvard College Dana-Farber Cancer Institute, Inc. (US) 2019-01-08 US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-9199923-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-01 US disclosed
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS Harvard University & Medical School 2015-02-05 US disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8304451-B2 Histone deacetylase and tubulin deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-06 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8178579-B2 Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-15 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080070916-A1 Dihydropyrancarboxamides and uses thereof SCHREIBER STUART L 2008-03-20 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 US disclosed
US-7166600-B2 Thiocarbamate inhibitors of alpha-4 integrins GENENTECH, INC. (US) 2007-01-23 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 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 (9 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-20080070916-A1 Dihydropyrancarboxamides and uses thereof CCNA1, DPYD, DHFR OPRM1 3615/4885OPRD1 3017/4885OPRK1 2560/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 OPRM1 4883/4885OPRD1 4699/4885OPRK1 4828/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 OPRM1 87/4885OPRD1 18/4885OPRK1 45/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 OPRM1 1290/4885OPRD1 916/4885OPRK1 651/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 OPRM1 4575/4885OPRD1 4216/4885OPRK1 4629/4885
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 OPRM1 4883/4885OPRD1 4699/4885OPRK1 4828/4885
US-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 OPRM1 124/4885OPRD1 264/4885OPRK1 257/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B OPRM1 2091/4885OPRD1 1182/4885OPRK1 2059/4885
US-10172821-B2 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC7 OPRM1 4883/4885OPRD1 4699/4885OPRK1 4828/4885

“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.