SCHEMBL745582

SCHEMBL745582

OC1(c2ccccc2)CC2C=CC1C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 2/20 0.36
HTT P42858 1/20 0.36
MAOB P27338 6/20 0.34
MAOA P21397 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRL1 P41146 3/20 0.33
OPRM1 P35372 2/20 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
SCHEMBL11740261 0.77 MAOB (0.36) MAOBMAOAOPRL1OPRM1
SCHEMBL1733750 0.74 MAOB (0.34) MAOBMAOAOPRM1
SCHEMBL6528313 0.74 MAOA (0.41) MAOBMAOA
SCHEMBL1732130 0.74 MAOB (0.52) MAOBMAOA
SCHEMBL231895 0.74 MAOA (0.41) MAOBMAOA
SCHEMBL1732423 0.74 MAOB (0.34) MAOBMAOAOPRM1
SCHEMBL1733139 0.70 CYP2D6 (0.41) MAOBMAOAMEN1KMT2A
SCHEMBL10884174 0.69 FAAH (0.37) LMNAHTTMEN1KMT2A
SCHEMBL2779962 0.68 MAOB (0.37) MAPTLMNAMAOBMAOAOPRL1
SCHEMBL2640739 0.67 MAPT (0.59) PTGS2SMN1; SMN2MAPTNPSR1LMNA

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-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US disclosed
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 EP disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 US disclosed
US-20090040436-A1 Cyclic Olefin-Based Polymer, and Optical Material, Polarizing Plate and Liquid Crystal Display Device Using the Same FUJIFILM CORPORATION (JP) 2009-02-12 US disclosed
US-20090040436-A1 Cyclic Olefin-Based Polymer, and Optical Material, Polarizing Plate and Liquid Crystal Display Device Using the Same FUJIFILM CORPORATION (JP) 2009-02-12 US disclosed
US-20080299329-A1 CYCLIC OLEFIN POLYMER, OPTICAL MATERIAL, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2008-12-04 US disclosed
US-20080299329-A1 CYCLIC OLEFIN POLYMER, OPTICAL MATERIAL, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2008-12-04 US disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP disclosed
WO-2007055406-A1 CYCLIC OLEFIN-BASED POLYMER, AND OPTICAL MATERIAL, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME FUJIFILM CORPORATION (JP) 2007-05-18 WO 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

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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 PTGS2 1764/4885SMN1; SMN2 4846/4885MAPT 4609/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 PTGS2 1816/4885SMN1; SMN2 4815/4885MAPT 4582/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 PTGS2 1764/4885SMN1; SMN2 4846/4885MAPT 4609/4885

“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.