SCHEMBL2190183

SCHEMBL2190183

OCC1(c2ccccc2)CCCN1c1ccccc1.[SiH3]O[SiH3]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
OPRL1 P41146 3/20 0.35
OPRM1 P35372 1/20 0.35
SLC6A9 P48067 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
SIGMAR1 Q99720 3/20 0.34
TSHR P16473 1/20 0.34
FFAR1 O14842 1/20 0.33
HSD11B1 P28845 2/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
PRCP P42785 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
CYP2B6 P20813 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL21197727 1.00 CFB (0.36) CFBNR1H2NR1H3OPRL1OPRM1
SCHEMBL2190192 1.00 CFB (0.36) CFBNR1H2NR1H3OPRL1OPRM1
SCHEMBL606913 0.94 CFB (0.39) CFBNR1H2NR1H3OPRL1OPRM1
SCHEMBL29908655 0.94 CFB (0.39) CFBNR1H2NR1H3OPRL1OPRM1
SCHEMBL246216 0.94 CFB (0.39) CFBNR1H2NR1H3OPRL1OPRM1
SCHEMBL606912 0.94 CFB (0.39) CFBNR1H2NR1H3OPRL1OPRM1
Hydrochloric Acid SCHEMBL8207460 0.92 CFB (0.38) CFBNR1H2NR1H3OPRL1OPRM1
SCHEMBL27866641 0.92 CFB (0.38) CFBNR1H2NR1H3OPRL1OPRM1
SCHEMBL9561702 0.92 CFB (0.38) CFBNR1H2NR1H3OPRL1OPRM1
Hydrochloric Acid SCHEMBL28274724 0.92 CFB (0.38) CFBNR1H2NR1H3OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546069-B Process improvement method of pregabalin 广州市桐晖药业有限公司 2024-09-27 CN disclosed
CN-118546069-A Process improvement method of pregabalin 广州市桐晖药业有限公司 2024-08-27 CN disclosed
US-11512041-B2 Highly enantioselective access to cyclic beta-amino acids NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-11-29 US disclosed
US-20210171436-A1 HIGHLY ENANTIOSELECTIVE ACCESS TO CYCLIC BETA-AMINO ACIDS UNIV NANYANG TECH (SG) 2021-06-10 US disclosed
EP-3599246-A1 MEANS AND METHODS FOR SYNTHESIZING PRECURSORS OF Y-AMINOBUTYRIC ACID (GABA) ANALOGS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-01-29 EP disclosed
US-9593071-B2 Process for the preparation of gamma amino acids and intermediates used in said process ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2017-03-14 US disclosed
US-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-08-11 US disclosed
EP-2703381-B1 METHOD FOR PRODUCING FIVE-MEMBERED RING-CONTAINING COMPOUND ONO PHARMACEUTICAL CO (JP) 2015-10-21 EP disclosed
CN-104220433-A Process for preparing gamma amino acids and intermediates useful in said process ROYAL COLLEGE OF SURGEONS IE 2014-12-17 CN disclosed
US-20140336412-A1 PROCESS FOR THE PREPARATION OF GAMMA AMINO ACIDS AND INTERMEDIATES USED IN SAID PROCESS ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2014-11-13 US disclosed
EP-2782911-A1 PROCESS FOR THE PREPARATION OF GAMMA AMINO ACIDS AND INTERMEDIATES USED IN SAID PROCESS Royal College of Surgeons in Ireland (IE) 2014-10-01 EP disclosed
WO-2013189978-A1 PROCESS FOR PREPARING ß-AMINO ACID DERIVATIVES AND USE OF SAID PROCESS FOR PREPARING TELAPREVIR SANDOZ AG (CH) 2013-12-27 WO disclosed
WO-2013076225-A1 PROCESS FOR THE PREPARATION OF GAMMA AMINO ACIDS AND INTERMEDIATES USED IN SAID PROCESS ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2013-05-30 WO disclosed
US-20110172438-A1 Enantioselective Cascade Michael-Michael Reactions and Related Catalysts NATIONAL SCIENCE FOUNDATION 2011-07-14 US disclosed
WO-2010027510-A2 ENANTIOSELECTIVE CASCADE MICHAEL-MICHAEL REACTIONS AND RELATED CATALYSTS STC. UNM (US) 2010-03-11 WO 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 (5 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-20110172438-A1 Enantioselective Cascade Michael-Michael Reactions and Related Catalysts FASN, PTGES, CBS CFB 4611/4885NR1H2 1592/4885NR1H3 1648/4885
US-11512041-B2 Highly enantioselective access to cyclic beta-amino acids BCAT1, BCAT2, SLC7A1 CFB 2014/4885NR1H2 1002/4885NR1H3 596/4885
US-20210171436-A1 HIGHLY ENANTIOSELECTIVE ACCESS TO CYCLIC BETA-AMINO ACIDS BCAT1, BCAT2, SLC7A1 CFB 2014/4885NR1H2 1002/4885NR1H3 596/4885
US-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS DBH, DDT, CBR3 CFB 1209/4885NR1H2 577/4885NR1H3 374/4885
US-20140336412-A1 PROCESS FOR THE PREPARATION OF GAMMA AMINO ACIDS AND INTERMEDIATES USED IN SAID PROCESS GLRB, GABRP, GABRG1 CFB 3184/4885NR1H2 1057/4885NR1H3 853/4885

“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.