SCHEMBL18101737

SCHEMBL18101737

CC[C@@H](C)C(=O)c1ccc2c(c1)CCC(C)(C)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.47
▸ RXRA P19793 1/20 0.44
▸ CTSB P07858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ SSTR5 P35346 1/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MGAM O43451 4/20 0.39
▸ GAA P10253 4/20 0.39
▸ SI P14410 4/20 0.39
▸ MGAM2 Q2M2H8 4/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KCNH2 Q12809 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
SCHEMBL6210627 0.79 RXRA (0.50) COXFA4RXRACTSBTDP1SSTR5
SCHEMBL30026892 0.79 RXRA (0.50) COXFA4RXRACTSBTDP1SSTR5
SCHEMBL30195971 0.79 RXRA (0.64) COXFA4RXRACTSBTDP1SSTR5
SCHEMBL3880185 0.79 RXRA (0.64) COXFA4RXRACTSBTDP1SSTR5
SCHEMBL3782343 0.78 COXFA4 (0.49) COXFA4RXRACTSBTDP1SSTR5
SCHEMBL6210404 0.78 COXFA4 (0.50) COXFA4RXRACTSBTDP1SSTR5
SCHEMBL31026771 0.78 COXFA4 (0.50) COXFA4RXRACTSBTDP1SSTR5
SCHEMBL12465724 0.77 COXFA4 (0.49) COXFA4RXRACTSBTDP1SSTR5
SCHEMBL12467526 0.76 COXFA4 (0.42) COXFA4RXRACTSBTDP1SSTR5
SCHEMBL26054454 0.76 COXFA4 (0.47) COXFA4RXRACTSBTDP1SSTR5

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-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 — — 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-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 COXFA4 2089/4885RXRA 2944/4885CTSB 124/4885

“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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