SCHEMBL4920256

SCHEMBL4920256

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PREP P48147 2/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
ACE P12821 1/20 0.44
BRD4 O60885 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
FUCA1 P04066 2/20 0.42

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
SCHEMBL7020611 1.00 CCKBR (0.53) CCKBRKMT2AMEN1PREPPOLB
SCHEMBL3179986 0.83 CCKBR (0.52) CCKBRKMT2AMEN1PREPPOLB
SCHEMBL4708947 0.82 MEN1 (0.48) KMT2AMEN1HPGDTSHR
SCHEMBL4711716 0.82 MEN1 (0.48) KMT2AMEN1HPGDTSHR
SCHEMBL10483634 0.82 KMT2A (0.56) KMT2AMEN1PREPPOLBCYP2D6
SCHEMBL20875929 0.82 CCKBR (0.51) CCKBRKMT2AMEN1PREPPOLB
SCHEMBL10341454 0.79 KMT2A (0.49) CCKBRKMT2AMEN1PREPPOLB
SCHEMBL20722523 0.77 KMT2A (0.50) KMT2AMEN1POLBCYP2D6CYP2C9
SCHEMBL20722526 0.77 KMT2A (0.50) KMT2AMEN1POLBCYP2D6CYP2C9
SCHEMBL20722524 0.77 KMT2A (0.50) KMT2AMEN1POLBCYP2D6CYP2C9

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 4 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-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-20080280334-A1 Method for Preparing 3-Hydroxy-4-Hydroxymethyl-Pyrrolidine Compounds ALBERT EINSTEIN COLLEGE OF MEDICINE 2008-11-13 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 (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-20080280334-A1 Method for Preparing 3-Hydroxy-4-Hydroxymethyl-Pyrrolidine Compounds HPD, DHPS, CYP3A5 CCKBR 3327/4885KMT2A 1957/4885MEN1 3068/4885

“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.