SCHEMBL16933673

SCHEMBL16933673

CC(C)(c1ccc(-c2ccc(OCCCn3ccnn3)cc2)cc1)N(C(=O)O)C1CCN2CCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.40
▸ ATP4B P51164 1/20 0.40
▸ HRH3 Q9Y5N1 16/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ PIN1 Q13526 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
SCHEMBL16933652 0.90 ACKR3 (0.35) ATP4AATP4BHRH3MEN1KMT2A
SCHEMBL16933520 0.79 PRKAB2 (0.38) HRH3MEN1KMT2AKCNH2
SCHEMBL16933698 0.79 JAK2 (0.41) HRH3
SCHEMBL29384529 0.78 NTMT1 (0.41) ATP4AATP4B
SCHEMBL16933687 0.78 CHRM5 (0.42) HRH3MEN1KMT2A
SCHEMBL16933479 0.77 CHRM5 (0.40) HRH3MEN1KMT2A
SCHEMBL16933481 0.77 CHRM5 (0.40) HRH3MEN1KMT2A
SCHEMBL15579233 0.77 ATP4A (0.49) ATP4AATP4BHRH3MEN1KMT2A
SCHEMBL16933606 0.76 ATP4A (0.37) ATP4AATP4BHRH3MEN1KMT2A
SCHEMBL16933523 0.76 CHRM5 (0.40) HRH3MEN1KMT2A

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 ATP4A 1220/4885ATP4B 2070/4885HRH3 3525/4885

“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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