SCHEMBL29604591

SCHEMBL29604591

CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.46
UGCG Q16739 4/20 0.42
DEGS1 O15121 1/20 0.39
NR3C1 P04150 1/20 0.39
NOTUM Q6P988 1/20 0.38
ACACA Q13085 2/20 0.38

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
SCHEMBL19894585 1.00 ACACB (0.46) ACACBUGCGDEGS1NR3C1NOTUM
SCHEMBL18094914 1.00 ACACB (0.46) ACACBUGCGDEGS1NR3C1NOTUM
SCHEMBL16695266 1.00 ACACB (0.46) ACACBUGCGDEGS1NR3C1NOTUM
SCHEMBL16695165 1.00 ACACB (0.46) ACACBUGCGDEGS1NR3C1NOTUM
SCHEMBL19894464 1.00 ACACB (0.46) ACACBUGCGDEGS1NR3C1NOTUM
SCHEMBL16695267 1.00 ACACB (0.46) ACACBUGCGDEGS1NR3C1NOTUM
SCHEMBL18094916 1.00 ACACB (0.46) ACACBUGCGDEGS1NR3C1NOTUM
SCHEMBL20840853 0.92 ACACB (0.46) ACACBACACA
SCHEMBL16695412 0.92 ACACB (0.46) ACACBNOTUMACACA
SCHEMBL19894567 0.92 ACACB (0.46) ACACBNOTUMACACA

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-11358932-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2022-06-14 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-11358932-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors GBA1, UGCG, GBA2 ACACB 71/4885UGCG 2/4885DEGS1 145/4885

“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.