SCHEMBL743084

SCHEMBL743084

OC1(c2nccs2)CCC2(CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.46
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.30
F2 P00734 1/20 0.30
F2RL3 Q96RI0 1/20 0.30
ALOX15 P16050 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
SCHEMBL9049881 0.81 OPRL1 (0.49) OPRL1ALDH1A1
SCHEMBL2689131 0.80 OPRL1 (0.31) OPRL1
SCHEMBL1356638 0.78 OPRL1 (0.53) OPRL1ALDH1A1
SCHEMBL18544740 0.78 OPRL1 (0.40) OPRL1
SCHEMBL2037274 0.78 OPRL1 (0.30) OPRL1ALDH1A1
SCHEMBL2042478 0.77 OPRL1 (0.51) OPRL1ALDH1A1
SCHEMBL1088704 0.74 OPRL1 (0.49) OPRL1ALDH1A1ALOX15
SCHEMBL2507983 0.73 FBP1 (0.31)
SCHEMBL2053631 0.73 OPRL1 (0.44) OPRL1ALDH1A1
SCHEMBL745413 0.72 OPRL1 (0.48) OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2376475-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP disclosed
EP-2376475-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP 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
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP disclosed
EP-1746997-A2 3-(4-HETEROARYLCYCLOHEXYLAMINO) CZCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2007-01-31 EP disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US disclosed
EP-1696919-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2006-09-06 EP disclosed
WO-2005115392-A2 3-(4-HETEROARYLCYCLOHEXYLAMINO) CYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-12-08 WO disclosed
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2005-12-01 US disclosed
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors PFIZER INC. 2005-09-01 US disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 WO disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 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 (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-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 OPRL1 158/4885ALDH1A1 2501/4885CYP2C19 1776/4885
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors CCR2, CCR5, CXCR3 OPRL1 242/4885ALDH1A1 3562/4885CYP2C19 1968/4885
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors CCR5, CXCR3, CCR2 OPRL1 87/4885ALDH1A1 1490/4885CYP2C19 2357/4885
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 OPRL1 250/4885ALDH1A1 3549/4885CYP2C19 1881/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 OPRL1 242/4885ALDH1A1 3562/4885CYP2C19 1968/4885

“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.