SCHEMBL743818

SCHEMBL743818

O=C(O)N[C@@H]1CCN(C2CCCCC2OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSK P43235 2/20 0.45
SLC6A5 Q9Y345 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SGMS2 Q8NHU3 1/20 0.42
CHRM1 P11229 2/20 0.41
SLC18A3 Q16572 2/20 0.40
CTSV O60911 1/20 0.40
CTSS P25774 1/20 0.40
CTSC P53634 1/20 0.40
CTSF Q9UBX1 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HSD11B1 P28845 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
SCHEMBL743817 1.00 CTSL (0.45) CTSLCTSBCTSKSLC6A5MEN1
SCHEMBL743816 1.00 CTSL (0.45) CTSLCTSBCTSKSLC6A5MEN1
SCHEMBL14917502 1.00 CTSL (0.45) CTSLCTSBCTSKSLC6A5MEN1
SCHEMBL10281391 0.86 KMT2A (0.51) CTSLCTSBCTSKSLC6A5KMT2A
SCHEMBL12209029 0.86 KMT2A (0.51) CTSLCTSBCTSKSLC6A5KMT2A
SCHEMBL3675920 0.86 KMT2A (0.51) CTSLCTSBCTSKSLC6A5KMT2A
SCHEMBL764192 0.78 CTSV (0.42) CTSLCTSBCTSKSLC18A3CTSV
SCHEMBL745576 0.78 CTSV (0.42) CTSLCTSBCTSKSLC18A3CTSV
SCHEMBL2171317 0.78 CTSV (0.42) CTSLCTSBCTSKSLC18A3CTSV
SCHEMBL745577 0.78 CTSV (0.42) CTSLCTSBCTSKSLC18A3CTSV

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 9 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-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
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US 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 CTSL 3290/4885CTSB 3668/4885CTSK 4083/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 CTSL 3131/4885CTSB 3595/4885CTSK 4039/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 CTSL 3290/4885CTSB 3668/4885CTSK 4083/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 CTSL 3290/4885CTSB 3668/4885CTSK 4083/4885

“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.