SCHEMBL16933518

SCHEMBL16933518

O=C(O)N(C1CN2CCC1CC2)C1(c2ccc(-c3ccc(COCc4cncnc4)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 17/20 0.39
▸ CHRM3 P20309 17/20 0.39
▸ CHRM5 P08912 16/20 0.39
▸ CHRM2 P08172 7/20 0.39
▸ GBA1 P04062 1/20 0.33
▸ UGCG Q16739 1/20 0.33
▸ GBA2 Q9HCG7 1/20 0.33

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
SCHEMBL16933511 0.94 CHRM5 (0.34) CHRM1CHRM3CHRM5CHRM2GBA1
SCHEMBL16933546 0.90 CHRM1 (0.41) CHRM1CHRM3CHRM5CHRM2
SCHEMBL16934160 0.78 CHRM5 (0.36) CHRM1CHRM3CHRM5CHRM2
SCHEMBL16007021 0.78 CHRM1 (0.47) CHRM1CHRM3CHRM5CHRM2
SCHEMBL16933504 0.75 CHRM5 (0.40) CHRM1CHRM3CHRM5CHRM2
SCHEMBL29396880 0.74 CHRNA7 (0.41) CHRM1CHRM3CHRM2UGCG
SCHEMBL15578209 0.72 CHRM5 (0.43) CHRM1CHRM3CHRM5CHRM2
SCHEMBL12614662 0.72 FASN (0.46) CHRM5
SCHEMBL16933632 0.71 CHRM5 (0.43) CHRM1CHRM3CHRM5CHRM2
SCHEMBL29387501 0.71 HRH3 (0.34) CHRM1CHRM3CHRM2GBA1UGCG

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 CHRM1 4870/4885CHRM3 4832/4885CHRM5 4860/4885

“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.

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