SCHEMBL16933652

SCHEMBL16933652

CC(C)(c1ccc(-c2ccc(OCCn3ccnn3)cc2)cc1)N(C(=O)O)C1CN2CCC1CC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRM5 P08912 3/20 0.35
▸ CHRM1 P11229 3/20 0.35
▸ CHRM3 P20309 3/20 0.35
▸ HRH3 Q9Y5N1 8/20 0.34
▸ ATP4A P20648 1/20 0.34
▸ ATP4B P51164 1/20 0.34

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
SCHEMBL16933673 0.90 ATP4A (0.40) MEN1KMT2AHRH3ATP4AATP4B
SCHEMBL16933698 0.89 JAK2 (0.41) ACKR3CHRM5CHRM1CHRM3HRH3
SCHEMBL16933481 0.84 CHRM5 (0.40) MEN1KMT2ACHRM5CHRM1CHRM3
SCHEMBL16933479 0.84 CHRM5 (0.40) MEN1KMT2ACHRM5CHRM1CHRM3
SCHEMBL16933687 0.83 CHRM5 (0.42) MEN1KMT2ACHRM5CHRM1CHRM3
SCHEMBL16933523 0.81 CHRM5 (0.40) MEN1KMT2ACHRM5CHRM1CHRM3
SCHEMBL15579458 0.80 PRKAB2 (0.37) MEN1KMT2ACHRM5CHRM1CHRM3
SCHEMBL16933531 0.79 GPR119 (0.41) MEN1KMT2ACHRM5CHRM1CHRM3
SCHEMBL29387708 0.78 NTMT1 (0.49) —
SCHEMBL16933618 0.77 FLT3 (0.36) 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 ACKR3 2927/4885MEN1 1532/4885KMT2A 2721/4885

“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.

Send feedback