SCHEMBL4329546

SCHEMBL4329546

O=C(O)N[C@H]1CCN(C(=O)C2CCN(c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
NOTUM Q6P988 1/20 0.60
CCR2 P41597 1/20 0.57
KCNH2 Q12809 1/20 0.57
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 2/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 4/20 0.50
MAPT P10636 2/20 0.50
TRPV1 Q8NER1 3/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
SLC6A9 P48067 1/20 0.47
PHGDH O43175 1/20 0.47

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
SCHEMBL23387210 0.87 NOTUM (0.67) POLBNOTUMLMNASMN1; SMN2USP2
SCHEMBL23387213 0.87 NOTUM (0.67) POLBNOTUMLMNASMN1; SMN2USP2
SCHEMBL13758488 0.86 POLB (0.55) POLBNOTUMCCR2KCNH2LMNA
SCHEMBL13613090 0.86 POLB (0.55) POLBNOTUMCCR2KCNH2LMNA
SCHEMBL15760381 0.83 POLB (0.66) POLBNOTUMCCR2KCNH2LMNA
SCHEMBL13758466 0.83 POLB (0.66) POLBNOTUMCCR2KCNH2LMNA
SCHEMBL13613092 0.83 POLB (0.66) POLBNOTUMCCR2KCNH2LMNA
SCHEMBL4161857 0.82 POLB (0.69) POLBNOTUMLMNASMN1; SMN2USP2
Trifluoroacetic Acid SCHEMBL4336746 0.81 POLB (0.61) POLBNOTUMCCR2KCNH2LMNA
SCHEMBL3098342 0.81 POLB (0.81) POLBNOTUMLMNASMN1; SMN2USP2

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 11 patents. 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-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-8697870-B2 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-04-15 US disclosed
EP-1696919-B1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2013-10-02 EP disclosed
US-20090286792-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS XUE CHU-BIAO 2009-11-19 US disclosed
US-7576089-B2 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION 2009-08-18 US disclosed
EP-1696919-A4 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2009-07-01 EP disclosed
EP-1696919-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2006-09-06 EP disclosed
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors PFIZER INC. 2005-09-01 US disclosed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 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-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 POLB 3846/4885NOTUM 3704/4885CCR2 1/4885
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors CCR2, CCR5, CXCR3 POLB 3880/4885NOTUM 3694/4885CCR2 1/4885
US-20090286792-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 POLB 3880/4885NOTUM 3694/4885CCR2 1/4885
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 POLB 4068/4885NOTUM 4013/4885CCR2 1/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 POLB 3880/4885NOTUM 3694/4885CCR2 1/4885

“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.