SCHEMBL29604264

SCHEMBL29604264

O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1)[C@@H]1CCN(c2ccc(Cl)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.44
UGCG Q16739 10/20 0.42
CCR1 P32246 1/20 0.42
NOTUM Q6P988 1/20 0.39

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
SCHEMBL16695235 1.00 ACACB (0.44) ACACBUGCGCCR1NOTUM
SCHEMBL29604525 1.00 ACACB (0.44) ACACBUGCGCCR1NOTUM
SCHEMBL18094847 1.00 ACACB (0.44) ACACBUGCGCCR1NOTUM
SCHEMBL18101811 1.00 ACACB (0.44) ACACBUGCGCCR1NOTUM
SCHEMBL16695366 1.00 ACACB (0.44) ACACBUGCGCCR1NOTUM
SCHEMBL18094844 0.94 CCR1 (0.42) ACACBUGCGCCR1NOTUM
SCHEMBL29604248 0.94 CCR1 (0.42) ACACBUGCGCCR1NOTUM
SCHEMBL16695582 0.94 CCR1 (0.42) ACACBUGCGCCR1NOTUM
SCHEMBL16695508 0.92 UGCG (0.44) ACACBUGCG
SCHEMBL16695423 0.92 UGCG (0.44) ACACBUGCG

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 2/4885CCR1 1710/4885

“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.