SCHEMBL4528469

SCHEMBL4528469

OC[C@@H]1CN(Cc2ccccc2)C[C@H]1O

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 10/20 0.82
FUCA1 P04066 2/20 0.69
PYGL P06737 1/20 0.56
MPG P29372 1/20 0.50

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
SCHEMBL500738 1.00 GBA1 (0.82) GBA1FUCA1PYGLMPG
SCHEMBL500739 1.00 GBA1 (0.82) GBA1FUCA1PYGLMPG
SCHEMBL2713933 0.90 GBA1 (1.00) GBA1FUCA1PYGL
SCHEMBL5327603 0.90 GBA1 (1.00) GBA1FUCA1PYGL
SCHEMBL8186647 0.90 GBA1 (1.00) GBA1FUCA1PYGL
SCHEMBL742926 0.89 GBA1 (0.75) GBA1FUCA1
SCHEMBL1190716 0.89 GBA1 (0.75) GBA1FUCA1
SCHEMBL14759416 0.89 GBA1 (0.75) GBA1FUCA1
SCHEMBL14759418 0.89 GBA1 (0.75) GBA1FUCA1
SCHEMBL505547 0.85 GBA1 (0.66) GBA1FUCA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183019-B2 (3R,4R)-3-hydroxy-4-hydroxymethylpyrrolidine or (3S,4S)-3-hydroxy-4-hydroxymethylpyrrolidine; enzyme-catalysed enantioselective hydrolysis of a racemic 3,4-trans-disubstituted pyrrolidinone; for purine nucleoside phosphorylase (PNP) inhibitors INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-22 US disclosed
US-20090325986-A1 Deazapurine Analogs of 1'-Aza-L-Nucleosides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-31 US disclosed
US-20080280334-A1 Method for Preparing 3-Hydroxy-4-Hydroxymethyl-Pyrrolidine Compounds ALBERT EINSTEIN COLLEGE OF MEDICINE 2008-11-13 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 (2 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-20080280334-A1 Method for Preparing 3-Hydroxy-4-Hydroxymethyl-Pyrrolidine Compounds HPD, DHPS, CYP3A5 GBA1 2125/4885FUCA1 1020/4885PYGL 518/4885
US-20090325986-A1 Deazapurine Analogs of 1'-Aza-L-Nucleosides TPMT, TYMP, DUT GBA1 707/4885FUCA1 893/4885PYGL 1076/4885

“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.