SCHEMBL13627265

SCHEMBL13627265

CCCCO[C@@H]1C[C@@H](C(C)(C)O)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
ABCB1 P08183 1/20 0.42
PRCP P42785 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
AGTR2 P50052 2/20 0.39
HTR2C P28335 1/20 0.39
PREP P48147 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL17019112 0.91 ALDH1A1 (0.43) TSHRL3MBTL1ALDH1A1CYP3A4MAPK1
SCHEMBL13613063 0.89 PDK1 (0.48) PDK1PDK2PDK3PDK4ABCB1
SCHEMBL13627005 0.81 ALDH1A1 (0.46) TSHRL3MBTL1ALDH1A1CYP3A4MAPK1
SCHEMBL13758532 0.81 ALDH1A1 (0.46) TSHRL3MBTL1ALDH1A1CYP3A4MAPK1
SCHEMBL15760371 0.80 PDK1 (0.53) PDK1PDK2PDK3PDK4AGTR2
SCHEMBL15417732 0.79 ABCB1 (0.48) TSHRL3MBTL1ALDH1A1CYP3A4MAPK1
SCHEMBL4331303 0.79 BDKRB2 (0.46) PDK1PDK2PDK3PDK4TMEM97
SCHEMBL12849519 0.77 AGTR2 (0.46) TMEM97SIGMAR1AGTR2HTR2C
SCHEMBL6936885 0.77 AGTR2 (0.46) TMEM97SIGMAR1AGTR2HTR2C
SCHEMBL6017192 0.76 TSHR (0.52) TSHRL3MBTL1ALDH1A1CYP3A4MAPK1

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 4 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-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2014-06-05 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

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-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 TSHR 186/4885L3MBTL1 928/4885ALDH1A1 3262/4885
US-20090286792-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 TSHR 182/4885L3MBTL1 1053/4885ALDH1A1 3562/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 TSHR 182/4885L3MBTL1 1053/4885ALDH1A1 3562/4885

“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.