SCHEMBL12273671

SCHEMBL12273671

CCOC(=O)C1(c2ccc(N)cc2)CCC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.56
OPRD1 P41143 3/20 0.54
OPRK1 P41145 3/20 0.54
SLC22A1 O15245 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
Hydrochloric Acid SCHEMBL12273066 0.98 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28305036 0.97 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1769207 0.94 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL12273573 0.92 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22992467 0.87 OPRM1 (0.52) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL4114 0.84 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL14279021 0.84 OPRM1 (0.71) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23225663 0.84 OPRM1 (0.75) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28523959 0.83 OPRM1 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3990760 0.83 OPRM1 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661909-B1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
EP-3661909-B1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
EP-3694502-B1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3694502-B1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3710444-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-12 EP disclosed
US-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
US-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
US-11208407-B2 Substituted phenyl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-12-28 US disclosed
US-11208407-B2 Substituted phenyl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-12-28 US disclosed
US-10995085-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-05-04 US disclosed
WO-2019027855-A1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-02-07 WO disclosed
WO-2019027855-A1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-02-07 WO disclosed
EP-2504314-B1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-05 EP disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
WO-2011060873-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-05-26 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 (4 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-10995085-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU OPRM1 3019/4885OPRD1 2793/4885OPRK1 1310/4885
US-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU OPRM1 3275/4885OPRD1 2953/4885OPRK1 1515/4885
US-11208407-B2 Substituted phenyl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT OPRM1 2853/4885OPRD1 2826/4885OPRK1 1113/4885
US-20120238582-A1 QUINAZOLINE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 OPRM1 2492/4885OPRD1 1697/4885OPRK1 1444/4885

“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.