SCHEMBL893223

SCHEMBL893223

Cc1ccc(C2(O)CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.53
OPRK1 P41145 3/20 0.53
OPRL1 P41146 3/20 0.53
OPRD1 P41143 2/20 0.49
HRH3 Q9Y5N1 3/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
DRD2 P14416 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 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
SCHEMBL11962271 0.98 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1HRH3
SCHEMBL23017577 0.94 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1HRH3
SCHEMBL10021108 0.93 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1HRH3
SCHEMBL2640740 0.88 OPRM1 (0.63) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL18910944 0.81 CYP2A6 (0.46) OPRM1OPRK1OPRL1ESR1ESR2
SCHEMBL19788034 0.80 HRH3 (0.41) OPRM1OPRK1OPRL1OPRD1HRH3
SCHEMBL10311834 0.79 OPRM1 (0.47) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL6058583 0.79 ESR1 (0.64) OPRM1HRH3ESR1ESR2DRD2
SCHEMBL6752708 0.79 ESR1 (0.64) OPRM1OPRK1OPRL1HRH3ESR1
SCHEMBL10311833 0.78 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399287-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
WO-2023145535-A1 RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, AND COMPOUND 東京応化工業株式会社 2023-08-03 WO disclosed
US-20210055656-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, POLYMERIC COMPOUND, AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2021-02-25 US disclosed
US-10377842-B2 Polymer, negative resist composition, and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-08-13 US disclosed
US-20170355795-A1 POLYMER, NEGATIVE RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-12-14 US disclosed
US-20170154766-A1 SILICON-CONTAINING CONDENSATE, COMPOSITION FOR FORMING A SILICON-CONTAINING RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-01 US disclosed
US-20170119786-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2017-05-04 US disclosed
US-9624173-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2017-04-18 US disclosed
US-20160102091-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2016-04-14 US disclosed
US-9181273-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-10 US disclosed
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-10-18 US disclosed
US-20120082935-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM FORMED USING THE SAME JSR CORPORATION (JP) 2012-04-05 US disclosed
US-20100310987-A1 POLYMER, RADIATION-SENSITIVE COMPOSITION, MONOMER, AND METHOD OF PRODUCING COMPOUND JSR CORPORATION (JP) 2010-12-09 US disclosed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
US-7064236-B2 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds GRUNENTHAL GMBH (DE) 2006-06-20 US disclosed
US-7022739-B2 Substituted 1-aminobutan-3-ol compounds GRUENENTHAL GMBH (DE) 2006-04-04 US disclosed
US-5384078-A Reaction of dienes with epoxides and carbon dioxide to form lactones for reaction with calcium BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1995-01-24 US disclosed
US-5211889-A Organocalcium cuprate complexes formed by reduction BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-05-18 US disclosed
WO-1993003044-A1 REACTIVE FORM OF CALCIUM AND REAGENTS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-02-18 WO disclosed
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 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 (5 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-20170119786-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD OPRM1 3905/4885OPRK1 3971/4885OPRL1 4224/4885
US-20230399287-A1 NOVEL COMPOUNDS CNKSR1, RORC, HLA-DRB1 OPRM1 4344/4885OPRK1 3019/4885OPRL1 3593/4885
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 OPRM1 425/4885OPRK1 336/4885OPRL1 205/4885
US-20100310987-A1 POLYMER, RADIATION-SENSITIVE COMPOSITION, MONOMER, AND METHOD OF PRODUCING COMPOUND RAD1, FRG1, RAD51 OPRM1 1348/4885OPRK1 1740/4885OPRL1 2818/4885
US-20160102091-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 OPRM1 3950/4885OPRK1 4056/4885OPRL1 4043/4885

“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.