SCHEMBL16933523

SCHEMBL16933523

CC(C)(c1ccc(-c2ccc(OCCCC#N)cc2)cc1)N(C(=O)O)C1CN2CCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 7/20 0.40
▸ CHRM1 P11229 7/20 0.40
▸ CHRM3 P20309 7/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HRH3 Q9Y5N1 9/20 0.36
▸ HRH2 P25021 3/20 0.36
▸ HRH1 P35367 3/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CHRM2 P08172 1/20 0.35

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
SCHEMBL16933531 0.90 GPR119 (0.41) CHRM5CHRM1CHRM3MEN1KMT2A
SCHEMBL16933687 0.88 CHRM5 (0.42) CHRM5CHRM1CHRM3MEN1KMT2A
SCHEMBL16933479 0.87 CHRM5 (0.40) CHRM5CHRM1CHRM3MEN1KMT2A
SCHEMBL16933481 0.87 CHRM5 (0.40) CHRM5CHRM1CHRM3MEN1KMT2A
SCHEMBL15579458 0.83 PRKAB2 (0.37) CHRM5CHRM1CHRM3MEN1KMT2A
SCHEMBL16933652 0.81 ACKR3 (0.35) CHRM5CHRM1CHRM3MEN1KMT2A
SCHEMBL16933698 0.80 JAK2 (0.41) CHRM5CHRM1CHRM3HRH3
SCHEMBL16933618 0.80 FLT3 (0.36) CHRM5CHRM1CHRM3CHRM2
SCHEMBL16933631 0.79 CHRM5 (0.39) CHRM5CHRM1CHRM3HRH3
SCHEMBL16933699 0.79 HRH3 (0.42) CHRM5CHRM1CHRM3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114040762-A Treatment of ciliary disease using inhibitors of glucosylceramide synthase (GCS) 建新公司 2022-02-11 — — CN disclosed
US-20220016092-A1 METHODS FOR TREATING SYMPTOMS AND DISORDERS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES GENZYME CORPORATION (US) 2022-01-20 — — US 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 (2 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
US-20220016092-A1 METHODS FOR TREATING SYMPTOMS AND DISORDERS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES GAA, GBA1, GALC CHRM5 1317/4885CHRM1 943/4885CHRM3 1033/4885

“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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