SCHEMBL500738

SCHEMBL500738

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
SCHEMBL4528469 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527554-A2 SALT AND POLYMORPHIC FORMS OF (3R,4S)-L-((4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL)-4(METHYLTHIOMETHYL)PYRROLIDIN-3-OL(MTDIA) Victoria Link Limited (NZ) 2019-08-21 EP disclosed
US-9994574-B2 Salt and polymorphic forms of (3R,4S)-L-((4-amino-5H-pyrrolo[3,2,-d]pyrimidin-7-yl)methyl)-4(methylthiomethyl)pyrodin-3-ol(MTDIA) VICTORIA LINK LIMITED (NZ) 2018-06-12 US disclosed
US-9994574-B2 Salt and polymorphic forms of (3R,4S)-L-((4-amino-5H-pyrrolo[3,2,-d]pyrimidin-7-yl)methyl)-4(methylthiomethyl)pyrodin-3-ol(MTDIA) VICTORIA LINK LIMITED (NZ) 2018-06-12 US disclosed
US-20150274741-A1 SALT AND POLYMORPHIC FORMS OF (3R,4S)-L-((4-AMINO-5H-PYRROLO[3,2,-D]PYRIMIDIN-7-YL)METHYL)-4(METHYLTHIOMETHYL)PYRODIN-3-OL(MTDIA) VICTORIA LINK LIMITED (NZ) 2015-10-01 US disclosed
US-20150274741-A1 SALT AND POLYMORPHIC FORMS OF (3R,4S)-L-((4-AMINO-5H-PYRROLO[3,2,-D]PYRIMIDIN-7-YL)METHYL)-4(METHYLTHIOMETHYL)PYRODIN-3-OL(MTDIA) VICTORIA LINK LIMITED (NZ) 2015-10-01 US disclosed
WO-2014073989-A1 SALT AND POLYMORPHIC FORMS OF (3R,4S)-L-((4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL)-4(METHYLTHIOMETHYL)PYRODIN-3-OL(MTDIA) CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2014-05-15 WO disclosed
EP-1666477-B1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE KYORIN SEIYAKU KK (JP) 2013-07-03 EP 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-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-8106072-B2 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-7514451-B2 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-04-07 US disclosed
EP-1756052-B1 IMPROVED METHOD FOR PREPARING 3-HYDROXY-4-HYDROXYMETHYL-PYRROLIDINE COMPOUNDS IND RES LTD (NZ) 2008-12-10 EP 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
US-7153851-B2 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-12-26 US disclosed
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-12-14 US disclosed
EP-1666477-A1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2006-06-07 EP disclosed
US-20050182052-A1 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
WO-2005033076-A1 METHOD FOR PREPARING 3-HYDROXY-4-HYDROXYMETHYL-PYRROLIDINE COMPOUNDS INDUSTRIAL RESEARCH LIMITED (NZ) 2005-04-14 WO disclosed
EP-1486500-A1 10-(3-CYCLOPROPYLAMINOMETHYL-1-PYRROLIDINYL)PYRIDOBENZOXAZINECARBOXYLIC ACID DERIVATIVE EFFECTIVE AGAINST RESISTANT BACTERIUM Kyorin Pharmaceutical Co., Ltd. (JP) 2004-12-15 EP 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 (4 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-20150274741-A1 SALT AND POLYMORPHIC FORMS OF (3R,4S)-L-((4-AMINO-5H-PYRROLO[3,2,-D]PYRIMIDIN-7-YL)METHYL)-4(METHYLTHIOMETHYL)PYRODIN-3-OL(MTDIA) MTAP, TPMT, TYMP GBA1 3308/4885FUCA1 4190/4885PYGL 424/4885
US-20060281779-A1 7-(4-Substituted-3-cyclopropylaminomethyl-1 pyrrolidinyl) quinolonecarboxylic acid derivative RPS27L, RPS7, RPSA GBA1 2967/4885FUCA1 4277/4885PYGL 3814/4885
US-20080280334-A1 Method for Preparing 3-Hydroxy-4-Hydroxymethyl-Pyrrolidine Compounds HPD, DHPS, CYP3A5 GBA1 2125/4885FUCA1 1020/4885PYGL 518/4885
US-20050182052-A1 10-(3-cyclopropylaminomethyl-1-pyrrolidinyl)pyridobenzoxazinecarboxylic acid derivative effective against resistant bacterium RRP15, RRP12, RRS1 GBA1 4365/4885FUCA1 3526/4885PYGL 3853/4885

“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.