SCHEMBL18544746

SCHEMBL18544746

NC1CCC(O)(c2cnc(C(=O)N3CCOCC3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
VNN1 O95497 2/20 0.38
ALDH1A1 P00352 3/20 0.37
BMPR1B O00238 2/20 0.37
BMPR1A P36894 2/20 0.37
TGFBR1 P36897 2/20 0.37
ACVRL1 P37023 2/20 0.37
ACVR1 Q04771 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HTR2C P28335 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35

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 0.82 HPGD (0.42) HPGDSMN1; SMN2VNN1ALDH1A1CA12
SCHEMBL13612955 0.81 HPGD (0.41) HPGDSMN1; SMN2VNN1ALDH1A1PDE7A
SCHEMBL5007920 0.73 HPGD (0.51) HPGDSMN1; SMN2ALDH1A1CA12CA1
SCHEMBL22360327 0.64 ADRA1A (0.61) HPGDSMN1; SMN2ALDH1A1CA12CA1
SCHEMBL2060505 0.64 HPGD (0.58) HPGDSMN1; SMN2ALDH1A1CA12CA1
SCHEMBL23213437 0.63 HPGD (0.49) HPGDSMN1; SMN2ALDH1A1HTR2CHTT
SCHEMBL517174 0.63 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1CA12CA1CA9
SCHEMBL9126942 0.62 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL4618663 0.62 ALDH1A1 (0.78) HPGDSMN1; SMN2ALDH1A1ALOX15HSD17B10
SCHEMBL745359 0.62 SMN1; SMN2 (0.48) HPGDSMN1; SMN2ALDH1A1HTR2CL3MBTL1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 HPGD 3454/4885SMN1; SMN2 4848/4885VNN1 4755/4885

“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.