SCHEMBL13612955

SCHEMBL13612955

O=C(c1ncc(C2(O)CCC3(CC2)OCCO3)s1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 6/20 0.39
USP2 O75604 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
VNN1 O95497 1/20 0.37
POLB P06746 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
SCHEMBL4333819 0.84 HPGD (0.42) HPGDSMN1; SMN2KMT2AALDH1A1NPC1
SCHEMBL18544746 0.81 HPGD (0.40) HPGDSMN1; SMN2ALDH1A1USP2PDE7A
SCHEMBL2509788 0.73 PDE10A (0.32) HPGDKMT2APDE10A
SCHEMBL2506804 0.73 HTT (0.31) SMN1; SMN2PDE10A
SCHEMBL13147911 0.73
SCHEMBL744178 0.72 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL745545 0.72 ALDH1A1 (0.46) HPGDSMN1; SMN2KMT2AGAAALDH1A1
SCHEMBL5007920 0.71 HPGD (0.51) HPGDSMN1; SMN2GAAALDH1A1USP2
SCHEMBL2508472 0.70 CCR2 (0.33)
SCHEMBL2513428 0.69 CCR2 (0.35) SMN1; SMN2ALDH1A1NPC1RAB9APDE10A

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 11 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-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-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-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
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-7576089-B2 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION 2009-08-18 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-20140155377-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 HPGD 3323/4885SMN1; SMN2 4840/4885KMT2A 4110/4885
US-20090286792-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 HPGD 3454/4885SMN1; SMN2 4848/4885KMT2A 4131/4885
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 HPGD 3554/4885SMN1; SMN2 4851/4885KMT2A 4030/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 HPGD 3454/4885SMN1; SMN2 4848/4885KMT2A 4131/4885

“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.