SCHEMBL16933699

SCHEMBL16933699

COCCOc1cccc(-c2ccc(C(C)(C)N(C(=O)O)C3CN4CCC3CC4)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.42
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ FAAH O00519 4/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ HTR7 P34969 3/20 0.38
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37

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
SCHEMBL16933499 0.94 HRH3 (0.42) HRH3MMP2MMP3CHEK1CHEK2
SCHEMBL16933631 0.91 CHRM5 (0.39) HRH3MMP2MMP3CHRM5CHRM1
SCHEMBL16933481 0.91 CHRM5 (0.40) HRH3CHRM5CHRM1CHRM3
SCHEMBL16933479 0.91 CHRM5 (0.40) HRH3CHRM5CHRM1CHRM3
SCHEMBL16933687 0.86 CHRM5 (0.42) HRH3CHRM5CHRM1CHRM3
SCHEMBL16933578 0.85 HRH3 (0.38) HRH3MMP2MMP3NR4A2DHODH
SCHEMBL16933545 0.83 CHRM5 (0.41) CHRM5CHRM1CHRM3
SCHEMBL16933567 0.82 CHRM5 (0.42) CHRM5CHRM1CHRM3
SCHEMBL16007862 0.80 CHRM3 (0.41) CHRM5CHRM1CHRM3
SCHEMBL16933585 0.80 CHRM5 (0.37) 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 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 HRH3 3525/4885MMP2 1379/4885MMP3 688/4885

“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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