SCHEMBL4331303

SCHEMBL4331303

CC(C)(O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.46
AGTR2 P50052 3/20 0.44
ABCB1 P08183 1/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
MMP9 P14780 1/20 0.40
CHRM3 P20309 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
BCHE P06276 2/20 0.39
FKBP1A P62942 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL13613063 0.89 PDK1 (0.48) BDKRB2AGTR2ABCB1PDK1PDK2
SCHEMBL13627265 0.79 TSHR (0.46) AGTR2ABCB1PDK1PDK2PDK3
SCHEMBL27224005 0.79 AGTR2 (0.59) BDKRB2AGTR2CTSLCTSBCTSK
SCHEMBL9603360 0.79 AGTR2 (0.59) BDKRB2AGTR2CTSLCTSBCTSK
SCHEMBL9033440 0.79 AGTR2 (0.59) BDKRB2AGTR2CTSLCTSBCTSK
SCHEMBL3784713 0.79 AGTR2 (0.59) BDKRB2AGTR2CTSLCTSBCTSK
SCHEMBL9033443 0.79 AGTR2 (0.59) BDKRB2AGTR2CTSLCTSBCTSK
SCHEMBL15798198 0.77 BDKRB2 (0.54) BDKRB2AGTR2ABCB1CTSLCTSB
SCHEMBL15793859 0.77 BDKRB2 (0.48) BDKRB2AGTR2ABCB1CTSLCTSB
SCHEMBL5048525 0.77 BDKRB2 (0.54) BDKRB2AGTR2ABCB1CTSLCTSB

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 8 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
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors PFIZER INC. 2005-09-01 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 (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 BDKRB2 57/4885AGTR2 98/4885ABCB1 1300/4885
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors CCR2, CCR5, CXCR3 BDKRB2 68/4885AGTR2 113/4885ABCB1 1348/4885
US-20090286792-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 BDKRB2 68/4885AGTR2 113/4885ABCB1 1348/4885
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 BDKRB2 70/4885AGTR2 126/4885ABCB1 1368/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 BDKRB2 68/4885AGTR2 113/4885ABCB1 1348/4885

“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.