SCHEMBL745498

SCHEMBL745498

OC1(c2ccccn2)CCC2(CC1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
SLC6A2 P23975 1/20 0.40
CCR1 P32246 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
HSD11B1 P28845 1/20 0.36
F12 P00748 1/20 0.35
PDE10A Q9Y233 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL30407409 1.00 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL24455261 0.86 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL536557 0.81 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL29460900 0.80 GRIN1 (0.37) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL17443870 0.80 GRIN1 (0.37) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL11920692 0.80 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL4324002 0.79 PDE10A (0.36) OPRM1OPRD1OPRK1OPRL1PDE10A
SCHEMBL745489 0.79 PDE10A (0.31) OPRM1OPRL1F12PDE10AALDH1A1
SCHEMBL743725 0.79 OPRM1 (0.37) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL29980665 0.78 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 WO disclosed
WO-2023081666-A1 COMPOUNDS AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 WO disclosed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 US disclosed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 US disclosed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 US disclosed
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS PFIZER (US) 2015-08-20 US disclosed
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS PFIZER (US) 2015-08-20 US disclosed
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS PFIZER (US) 2015-08-20 US disclosed
US-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2014-06-05 US disclosed
US-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2014-06-05 US disclosed
EP-0998285-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-01-08 EP disclosed
US-6255315-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-07-03 US disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 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 (3 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-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 OPRM1 380/4885OPRD1 251/4885OPRK1 183/4885
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 OPRM1 361/4885OPRD1 234/4885OPRK1 172/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 OPRM1 322/4885OPRD1 228/4885OPRK1 165/4885

“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.