SCHEMBL744708

SCHEMBL744708

CNC(=O)c1ccc(C2(O)CCC3(CC2)OCCO3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLK1 P53350 5/20 0.39
S1PR2 O95136 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
WDR91 A4D1P6 1/20 0.37
CA2 P00918 1/20 0.37
MMP13 P45452 1/20 0.36
CCR1 P32246 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP21A2 P08686 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
SCHEMBL12208871 0.84 POLB (0.41) POLBHPGDSMN1; SMN2L3MBTL1SLC6A4
SCHEMBL613744 0.82 ALDH1A1 (0.44) POLBHPGDTSHRSMN1; SMN2CA2
SCHEMBL744673 0.81 RXRA (0.46) POLBHPGDTSHRS1PR2
SCHEMBL14403245 0.80 DRD2 (0.39) POLBL3MBTL1SLC6A4SLC6A3
SCHEMBL615636 0.80 PARP10 (0.38) POLBHPGDTSHRS1PR2L3MBTL1
SCHEMBL4322274 0.80 BAZ2B (0.41) POLBHDAC2HDAC8HDAC6CYP17A1
SCHEMBL743973 0.77 HDAC2 (0.46) HDAC2HDAC8HDAC6HPGDTSHR
SCHEMBL613489 0.76 OPRM1 (0.50) TSHRL3MBTL1SLC6A4SLC6A3
SCHEMBL7659846 0.75 MAPT (0.43) TSHRSMN1; SMN2SLC6A4SLC6A3
SCHEMBL8585142 0.75 SLC6A4 (0.44) HPGDHTTSMN1; SMN2L3MBTL1SLC6A4

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 25 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-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
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 EP 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
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 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 POLB 3820/4885HDAC2 2545/4885HDAC8 4380/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 POLB 3696/4885HDAC2 2148/4885HDAC8 4196/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 POLB 3820/4885HDAC2 2545/4885HDAC8 4380/4885

“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.