SCHEMBL746159

SCHEMBL746159

CN(C)C(=O)c1ccc(C2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.56
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP30 Q70CQ3 1/20 0.39
HDAC1 Q13547 2/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
POLB P06746 1/20 0.37
ESR2 Q92731 1/20 0.36
FASN P49327 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL744889 0.82 IKBKE (0.45) GPR119ALDH1A1HPGDHDAC1IKBKE
SCHEMBL3496971 0.80 RAB9A (0.49) GPR119ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL14403053 0.79 ESR2 (0.42) IKBKETBK1POLBESR2SLC6A4
SCHEMBL22048022 0.79 GPR119 (0.44) GPR119IKBKETBK1
SCHEMBL1780878 0.77 CA12 (0.45) ALDH1A1HPGDSMN1; SMN2POLBESR2
SCHEMBL31019753 0.76 GPR119 (0.40) GPR119ALDH1A1HPGDSMN1; SMN2ESR2
SCHEMBL10131989 0.75 IKBKE (0.38) GPR119ALDH1A1IKBKETBK1POLB
SCHEMBL8383556 0.75 ESR2 (0.58) ESR2
SCHEMBL14117575 0.75 ESR2 (0.41) ALDH1A1HPGDSMN1; SMN2IKBKETBK1
SCHEMBL744509 0.74 ESR2 (0.56) ALDH1A1HPGDSMN1; SMN2USP30HDAC1

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 29 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-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 US disclosed
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 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
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 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 (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 GPR119 234/4885ALDH1A1 2447/4885HPGD 2786/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 GPR119 214/4885ALDH1A1 2501/4885HPGD 2545/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 GPR119 234/4885ALDH1A1 2447/4885HPGD 2786/4885

“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.