SCHEMBL16933571

SCHEMBL16933571

COCCCOc1ccc(-c2ccc(C3(N(C(=O)O)C4CCN5CCC4CC5)CC3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.36
▸ CHRM1 P11229 4/20 0.36
▸ CHRM3 P20309 4/20 0.36
▸ CHRM5 P08912 3/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CHRM2 P08172 1/20 0.34

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
SCHEMBL16933504 0.89 CHRM5 (0.40) HRH3CHRM1CHRM3CHRM5CHRM2
SCHEMBL16933632 0.89 CHRM5 (0.43) HRH3CHRM1CHRM3CHRM5CHRM2
SCHEMBL16934160 0.84 CHRM5 (0.36) HRH3CHRM1CHRM3CHRM5CHRM2
SCHEMBL16007021 0.80 CHRM1 (0.47) HRH3CHRM1CHRM3CHRM5KMT2A
SCHEMBL16933687 0.73 CHRM5 (0.42) HRH3CHRM1CHRM3CHRM5KMT2A
SCHEMBL29387657 0.72 HRH3 (0.38) HRH3
SCHEMBL16933646 0.70 NTMT1 (0.46) —
SCHEMBL15578258 0.69 KMT2A (0.64) KMT2AMEN1
SCHEMBL15578005 0.69 HRH3 (0.38) HRH3
SCHEMBL16933578 0.69 HRH3 (0.38) HRH3CHRM1CHRM3CHRM5KMT2A

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 HRH3 3525/4885CHRM1 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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