SCHEMBL16933541

SCHEMBL16933541

COCCOCc1ccc(-c2ccc(C(C)(C)N(C(=O)O)C3CCN4CCC3CC4)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 10/20 0.37
▸ CHRM1 P11229 10/20 0.37
▸ CHRM3 P20309 10/20 0.37
▸ CHRM2 P08172 3/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ UGCG Q16739 1/20 0.33
▸ GBA2 Q9HCG7 1/20 0.33
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTPN6 P29350 1/20 0.32
▸ LIPC P11150 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ NR4A2 P43354 1/20 0.32

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 0.93 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933545 0.85 CHRM5 (0.41) CHRM5CHRM1CHRM3CHRM2GBA1
SCHEMBL28657196 0.82 CHRM5 (0.48) CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933499 0.81 HRH3 (0.42) HRH3NR4A2
SCHEMBL16933479 0.80 CHRM5 (0.40) CHRM5CHRM1CHRM3HRH3
SCHEMBL16933481 0.80 CHRM5 (0.40) CHRM5CHRM1CHRM3HRH3
SCHEMBL16933568 0.79 NPY2R (0.38) —
SCHEMBL16934160 0.78 CHRM5 (0.36) CHRM5CHRM1CHRM3CHRM2HRH3
SCHEMBL16933578 0.78 HRH3 (0.38) CHRM5CHRM1CHRM3HRH3NR4A2
SCHEMBL16933687 0.77 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4098654-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2022-12-07 — — EP disclosed
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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