SCHEMBL745009

SCHEMBL745009

O=C(NC1(CF)CCN(C(=O)O)C1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
KCNH2 Q12809 4/20 0.46
DPP7 Q9UHL4 4/20 0.46
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
KDM1A O60341 1/20 0.41
CCR1 P32246 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TGM2 P21980 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
RORC P51449 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL19641354 0.93 CTSL (0.43) DPP4KCNH2DPP7PIK3R1PIK3CA
SCHEMBL29002107 0.89 CTSL (0.42) DPP4KCNH2DPP7CTSLCTSB
SCHEMBL26926130 0.86 CTSB (0.43) DPP4KCNH2DPP7CTSLCTSB
SCHEMBL743654 0.86 TACR1 (0.43) DPP4KCNH2DPP7PIK3R1PIK3CA
SCHEMBL4475409 0.85 TGM2 (0.42) DPP4KCNH2DPP7CTSLCTSB
SCHEMBL19641407 0.84 CTSL (0.44) DPP4KCNH2DPP7CTSLCTSB
SCHEMBL17749018 0.83 CTSL (0.46) DPP4KCNH2DPP7CTSLCTSB
SCHEMBL26656819 0.83 DPP4 (0.43) DPP4KCNH2DPP7CTSLCTSB
SCHEMBL5234369 0.83 CTSL (0.42) DPP4KCNH2DPP7CTSLCTSB
SCHEMBL20744116 0.82 JAK2 (0.47) DPP4KCNH2DPP7CTSLCTSB

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 13 patents. 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-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
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 EP disclosed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP disclosed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US disclosed
US-7985730-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2011-07-26 US disclosed
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 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

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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 DPP4 2716/4885KCNH2 2991/4885DPP7 3107/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 DPP4 2633/4885KCNH2 2930/4885DPP7 3015/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 DPP4 2716/4885KCNH2 2991/4885DPP7 3107/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 DPP4 2716/4885KCNH2 2991/4885DPP7 3107/4885

“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.