SCHEMBL746135

SCHEMBL746135

[c]1ccc(-c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
NAAA Q02083 1/20 0.43
MAPT P10636 6/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NOTUM Q6P988 1/20 0.42
TP53 P04637 1/20 0.42
ERN1 O75460 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
BLM P54132 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
CD274 Q9NZQ7 3/20 0.41

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
SCHEMBL1514529 0.88 CA12 (0.54) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15677665 0.85 ALOX5 (0.72) ALOX5CYP11B1CYP11B2MAPTNPC1
SCHEMBL3149946 0.79 DYRK1A (0.41) ALOX5CYP11B1CYP11B2NAAAMAPT
SCHEMBL3135370 0.79 DYRK1A (0.57) MAPTNPC1RAB9ASMN1; SMN2ERN1
SCHEMBL3302597 0.78 CYP11B1 (0.53) ALOX5CYP11B1CYP11B2MAPTNPC1
SCHEMBL12257033 0.78 ALOX5 (0.58) ALOX5CYP11B1CYP11B2MAPTNPC1
SCHEMBL14320591 0.78 MAPT (0.60) ALOX5CYP11B1CYP11B2MAPTNPC1
SCHEMBL28076730 0.78 ALOX5 (0.69) ALOX5CYP11B1CYP11B2NAAAMAPT
SCHEMBL17610580 0.77 NOTUM (0.49) MAPTNPC1RAB9ASMN1; SMN2NOTUM
SCHEMBL13267804 0.76 ALOX5 (0.56) ALOX5CYP11B1CYP11B2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US claimed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US claimed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
JP-2006516145-A 2006-06-22 JP claimed
CN-1741994-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP (US) 2006-03-01 CN claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
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-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2014-06-05 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-8697870-B2 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-04-15 US disclosed
CN-1741994-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP (US) 2006-03-01 CN 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 (7 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 ALOX5 1814/4885CYP11B1 1856/4885CYP11B2 2660/4885
US-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 ALOX5 1089/4885CYP11B1 1692/4885CYP11B2 2374/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 ALOX5 1933/4885CYP11B1 1683/4885CYP11B2 2496/4885
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors CCR2, CCR5, CXCR3 ALOX5 1196/4885CYP11B1 1745/4885CYP11B2 2457/4885
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 ALOX5 1248/4885CYP11B1 1743/4885CYP11B2 2381/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 ALOX5 1814/4885CYP11B1 1856/4885CYP11B2 2660/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 ALOX5 1196/4885CYP11B1 1745/4885CYP11B2 2457/4885

“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.