SCHEMBL16933677

SCHEMBL16933677

COCCOc1ccc(C#CC(C)(C)N(C(=O)O)C2CN3CCC2CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 10/20 0.40
▸ CHRM1 P11229 10/20 0.40
▸ CHRM3 P20309 10/20 0.40
▸ USP30 Q70CQ3 1/20 0.36
▸ ACACB O00763 3/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 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
SCHEMBL16933657 0.95 CHRM5 (0.41) CHRM5CHRM1CHRM3ACACBCHRM2
SCHEMBL16007060 0.83 CHRM1 (0.38) CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933481 0.82 CHRM5 (0.40) CHRM5CHRM1CHRM3KMT2AMEN1
SCHEMBL16933479 0.82 CHRM5 (0.40) CHRM5CHRM1CHRM3KMT2AMEN1
SCHEMBL16933679 0.77 KDM1A (0.33) CHRM5CHRM1CHRM3CHRM2KMT2A
SCHEMBL16933631 0.77 CHRM5 (0.39) CHRM5CHRM1CHRM3
SCHEMBL16933687 0.77 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2KMT2A
SCHEMBL16933476 0.75 NTMT1 (0.49) —
SCHEMBL29400828 0.74 NTMT1 (0.46) CHRM3
SCHEMBL16933699 0.73 HRH3 (0.42) 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.

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