SCHEMBL29604239

SCHEMBL29604239

O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2cnc3cccnc3c2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 9/20 0.51
HTR1A P08908 1/20 0.48
PTGS1 P23219 1/20 0.48
OPRM1 P35372 1/20 0.48
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACACB O00763 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL19894495 1.00 UGCG (0.51) UGCGHTR1APTGS1OPRM1TP53
SCHEMBL16695476 1.00 UGCG (0.51) UGCGHTR1APTGS1OPRM1TP53
SCHEMBL18094863 1.00 UGCG (0.51) UGCGHTR1APTGS1OPRM1TP53
SCHEMBL19894517 1.00 UGCG (0.51) UGCGHTR1APTGS1OPRM1TP53
SCHEMBL16695351 1.00 UGCG (0.51) UGCGHTR1APTGS1OPRM1TP53
SCHEMBL29604913 1.00 UGCG (0.51) UGCGHTR1APTGS1OPRM1TP53
SCHEMBL16695422 0.92 UGCG (0.51) UGCGHTR1APTGS1OPRM1TP53
SCHEMBL16695504 0.92 UGCG (0.51) UGCGHTR1APTGS1OPRM1TP53
SCHEMBL29604211 0.92 UGCG (0.51) UGCGHTR1APTGS1OPRM1TP53
SCHEMBL16695574 0.92 UGCG (0.51) UGCGHTR1APTGS1OPRM1TP53

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 UGCG 2/4885HTR1A 3038/4885PTGS1 128/4885

“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.