SCHEMBL29604248

SCHEMBL29604248

O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2COC2)nc1)[C@@H]1CCN(c2ccc(Cl)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
ACACB O00763 11/20 0.41
UGCG Q16739 7/20 0.39
NOTUM Q6P988 1/20 0.37

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
SCHEMBL16695582 1.00 CCR1 (0.42) CCR1ACACBUGCGNOTUM
SCHEMBL18094844 1.00 CCR1 (0.42) CCR1ACACBUGCGNOTUM
SCHEMBL16695366 0.94 ACACB (0.44) CCR1ACACBUGCGNOTUM
SCHEMBL16695235 0.94 ACACB (0.44) CCR1ACACBUGCGNOTUM
SCHEMBL18101811 0.94 ACACB (0.44) CCR1ACACBUGCGNOTUM
SCHEMBL29604264 0.94 ACACB (0.44) CCR1ACACBUGCGNOTUM
SCHEMBL18094847 0.94 ACACB (0.44) CCR1ACACBUGCGNOTUM
SCHEMBL29604525 0.94 ACACB (0.44) CCR1ACACBUGCGNOTUM
SCHEMBL19894567 0.87 ACACB (0.46) CCR1ACACBNOTUM
SCHEMBL16695530 0.87 ACACB (0.46) CCR1ACACBNOTUM

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 CCR1 1710/4885ACACB 71/4885UGCG 2/4885

“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.