SCHEMBL16933632

SCHEMBL16933632

COCCCc1ccc(-c2ccc(C3(N(C(=O)O)C4CCN5CCC4CC5)CC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 13/20 0.43
▸ CHRM1 P11229 13/20 0.43
▸ CHRM3 P20309 13/20 0.43
▸ CHRM2 P08172 1/20 0.37
▸ HRH3 Q9Y5N1 5/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL16933571 0.89 HRH3 (0.36) CHRM5CHRM1CHRM3CHRM2HRH3
SCHEMBL16933504 0.79 CHRM5 (0.40) CHRM5CHRM1CHRM3CHRM2HRH3
SCHEMBL29386768 0.73 HRH3 (0.42) CHRM5CHRM1CHRM3CHRM2HRH3
SCHEMBL16933518 0.71 CHRM1 (0.39) CHRM5CHRM1CHRM3CHRM2
SCHEMBL15577770 0.69 MEN1 (0.47) CHRM5CHRM1CHRM3HRH3
SCHEMBL16933546 0.69 CHRM1 (0.41) CHRM5CHRM1CHRM3CHRM2
SCHEMBL15577988 0.69 HRH3 (0.42) CHRM5CHRM1CHRM3HRH3KCNH2
SCHEMBL15578170 0.67 HRH3 (0.42) HRH3KCNH2
SCHEMBL15578159 0.67 HRH3 (0.42) HRH3
SCHEMBL15577976 0.65 HRH3 (0.41) HRH3KCNH2

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.

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