SCHEMBL16933598

SCHEMBL16933598

COCCCOc1cnc(-c2cccc(C(C)(C)N(C(=O)O)C3CN4CCC3CC4)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.36
▸ CHRM5 P08912 14/20 0.35
▸ CHRM1 P11229 14/20 0.35
▸ CHRM3 P20309 14/20 0.35
▸ CHRM2 P08172 2/20 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
SCHEMBL16933601 0.94 FFAR4 (0.35) FFAR4CHRM5CHRM1CHRM3
SCHEMBL16933570 0.90 CHRM5 (0.35) FFAR4CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933472 0.89 FFAR4 (0.36) FFAR4CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933585 0.85 CHRM5 (0.37) CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933613 0.84 DGAT1 (0.33) FFAR4CHRM5CHRM1CHRM3
SCHEMBL16933471 0.83 BCHE (0.36) FFAR4
SCHEMBL16933631 0.80 CHRM5 (0.39) CHRM5CHRM1CHRM3
SCHEMBL16933624 0.80 S1PR1 (0.33) CHRM5CHRM1CHRM3
SCHEMBL29399479 0.79 NTMT1 (0.48) —
SCHEMBL16933656 0.79 MEN1 (0.40) FFAR4CHRM5CHRM1CHRM3CHRM2

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 FFAR4 2211/4885CHRM5 4860/4885CHRM1 4870/4885

“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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