SCHEMBL16933545

SCHEMBL16933545

COCCOCc1ccc(-c2cccc(C(C)(C)N(C(=O)O)C3CN4CCC3CC4)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 18/20 0.41
▸ CHRM1 P11229 18/20 0.41
▸ CHRM3 P20309 18/20 0.41
▸ CHRM2 P08172 6/20 0.39
▸ GBA1 P04062 1/20 0.36
▸ UGCG Q16739 1/20 0.36
▸ GBA2 Q9HCG7 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
SCHEMBL16933567 0.91 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933631 0.88 CHRM5 (0.39) CHRM5CHRM1CHRM3
SCHEMBL16933541 0.85 CHRM5 (0.37) CHRM5CHRM1CHRM3CHRM2GBA1
SCHEMBL16007862 0.84 CHRM3 (0.41) CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933699 0.83 HRH3 (0.42) CHRM5CHRM1CHRM3
SCHEMBL28657196 0.82 CHRM5 (0.48) CHRM5CHRM1CHRM3CHRM2
SCHEMBL12614899 0.82 CHRM3 (0.38) CHRM5CHRM1CHRM3CHRM2UGCG
SCHEMBL16933578 0.82 HRH3 (0.38) CHRM5CHRM1CHRM3
SCHEMBL16933479 0.78 CHRM5 (0.40) CHRM5CHRM1CHRM3
SCHEMBL16933481 0.78 CHRM5 (0.40) CHRM5CHRM1CHRM3

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-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2015-07-30 — — 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-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA CHRM5 4860/4885CHRM1 4870/4885CHRM3 4832/4885

“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.

Send feedback