SCHEMBL744629

SCHEMBL744629

OC1(c2ccncc2)CCC2(CC1)OCCO2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
SLC22A12 Q96S37 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
DRD2 P14416 1/20 0.31
CYP17A1 P05093 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP11B2 P19099 2/20 0.31
OPRD1 P41143 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.30
CYP11B1 P15538 1/20 0.30

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
SCHEMBL14403245 0.86 DRD2 (0.39) ALDH1A1OPRM1OPRK1OPRL1KDM4E
SCHEMBL23215085 0.84 OPRL1 (0.42) ALDH1A1OPRM1OPRK1OPRL1SLC22A12
SCHEMBL612712 0.81 OPRL1 (0.52) ALDH1A1OPRM1OPRK1OPRL1SMN1; SMN2
SCHEMBL1721462 0.80 ALDH1A1 (0.48) ALDH1A1OPRM1OPRK1OPRL1SMN1; SMN2
SCHEMBL612754 0.78 OPRM1 (0.43) OPRM1OPRK1OPRL1SMN1; SMN2SLC6A4
SCHEMBL742824 0.78 DRD2 (0.37) ALDH1A1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL745184 0.78 VNN1 (0.31)
SCHEMBL613410 0.78 DRD2 (0.55) ALDH1A1OPRM1OPRK1OPRL1HTT
SCHEMBL2385636 0.78 OPRM1 (0.43) OPRM1OPRK1OPRL1SMN1; SMN2SLC6A4
SCHEMBL613489 0.78 OPRM1 (0.50) ALDH1A1TSHROPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526196-B1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS MERCK SHARP & DOHME LLC (US) 2026-03-18 EP disclosed
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME LLC (US) 2023-05-23 US disclosed
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME LLC (US) 2023-05-23 US disclosed
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME LLC (US) 2023-05-23 US disclosed
US-20200247754-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-08-06 US disclosed
US-20200247754-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-08-06 US disclosed
EP-3526196-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS Merck Sharp & Dohme Corp. (US) 2019-08-21 EP disclosed
WO-2018071317-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed
WO-2018071317-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 US disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO disclosed
EP-0207500-B1 ISOQUINOLINE DERIVATIVES MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-11-13 EP disclosed
US-4845228-A INTERMEDIATES FOR CARDIOTONIC AGENTS MITSUI TOATSU CHEMICALS, INC. (JP) 1989-07-04 US disclosed
US-4824952-A CARDIOTONIC AGENTS MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-25 US disclosed
US-4639521-A CARDIOTONIC AGENTS MITSUI TOATSU CHEMICALS, INC. (JP) 1987-01-27 US disclosed
EP-0207500-A2 Isoquinoline derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-01-07 EP 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-20200247754-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE NR1H2, NR1H3, NR1H4 ALDH1A1 894/4885TSHR 373/4885OPRM1 526/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 ALDH1A1 2501/4885TSHR 336/4885OPRM1 277/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 ALDH1A1 2447/4885TSHR 332/4885OPRM1 296/4885
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 ALDH1A1 894/4885TSHR 373/4885OPRM1 526/4885

“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.