SCHEMBL247628

SCHEMBL247628

CC(C)C(CN)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 1.00
SLC6A4 P31645 6/20 0.60
SLC6A3 Q01959 6/20 0.60
SLC6A2 P23975 5/20 0.60
HTR2A P28223 2/20 0.54
AOC3 Q16853 2/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
HRH1 P35367 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 2/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL5351663 1.00 TAAR1 (1.00) TAAR1SLC6A4SLC6A3SLC6A2HTR2A
SCHEMBL5005843 1.00 TAAR1 (1.00) TAAR1SLC6A4SLC6A3SLC6A2HTR2A
Hydrochloric Acid SCHEMBL1669712 0.98 TAAR1 (0.95) TAAR1SLC6A4SLC6A3SLC6A2HTR2A
Acetamide SCHEMBL8830920 0.88 TAAR1 (0.78) TAAR1SLC6A4SLC6A3SLC6A2HTR2A
SCHEMBL8995001 0.85 TAAR1 (0.73) TAAR1SLC6A4SLC6A3SLC6A2HTR2A
SCHEMBL4695342 0.84 TAAR1 (0.72) TAAR1SLC6A4SLC6A3SLC6A2HTR2A
SCHEMBL9055834 0.82 TAAR1 (0.69) TAAR1SLC6A4SLC6A3SLC6A2HTR2A
SCHEMBL8953218 0.82 TAAR1 (0.69) TAAR1SLC6A4SLC6A3SLC6A2HTR2A
SCHEMBL11679334 0.80 TAAR1 (0.67) TAAR1SLC6A4SLC6A3SLC6A2HTR2A
SCHEMBL18634216 0.80 TAAR1 (0.64) TAAR1SLC6A4SLC6A3SLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292164-A1 PROCESS FOR THE PREPARATION OF GLYCEROL CARBONATE THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2019-09-26 US claimed
CN-101838195-A Chemical resolution preparation method for optical pure Beta-3, 4-dyhydroxyophenyl lactic acid TIANJIN TASLY PHARMACEUTICAL 2010-09-22 CN claimed
US-7790900-B2 Method for producing an optically active nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-07 US claimed
US-20080281125-A1 Process for Preparing Enantiopure E-(2S)-Alkyl-5-Halopent-4-Enoic Acids and Esters DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-11-13 US claimed
CN-101137602-A Process for preparing enantiomerically pure E- (2S) -alkyl-5-halopent-4-enoic acids and esters thereof DSM FINE CHEM AUSTRIA GMBH (AT) 2008-03-05 CN claimed
EP-1856008-A1 PROCESS FOR PREPARING ENANTIOPURE E-(2S)-ALKYL-5-HALOPENT-4-ENOIC ACIDS AND ESTERS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2007-11-21 EP claimed
US-7214820-B2 Process for producing optically active flurbiprofen NAGASE & CO., LTD. (JP) 2007-05-08 US claimed
WO-2006099926-A1 PROCESS FOR PREPARING ENANTIOPURE E-(2S)-ALKYL-5-HALOPENT-4-ENOIC ACIDS AND ESTERS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2006-09-28 WO claimed
US-20060135617-A1 Process for producing optically active flurbiprofen NAGASE & CO., LTD. (JP) 2006-06-22 US claimed
EP-0906900-B1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid AJINOMOTO KK (JP) 2002-01-23 EP claimed
US-6093846-A BY REACTING WITH SPECIFIED OPTICALLY ACTIVE AMINES SUCH AS CIS-1-AMINO-2-INDANOL IN A SOLVENT, PRODUCING TWO DIASTEREOISOMERIC SALTS OF DIFFERING SOLUBILITY, FRACTIONAL CRYSTALLIZATION AND DECOMPOSING THE SALT WITH ALKALI OR ACID AJINOMOTO CO., INC. (JP) 2000-07-25 US claimed
US-5852209-A Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & CO., LTD. (JP) 1998-12-22 US claimed
EP-0529835-B1 Optical resolution of (+/-)-2-(4-isobutylphenyl) propionic acid NAGASE & CO LTD (JP) 1997-01-22 EP claimed
EP-0703212-A1 Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & COMPANY, LTD. (JP) 1996-03-27 EP claimed
JP-8151344-A None JP disclosed
JP-9056396-A None JP disclosed
JP-11106363-A None JP disclosed
EP-0146067-A2 Novel substrates for D-amino acid oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1985-06-26 EP disclosed
US-4313978-A Antistatic compositions and treatment MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-02 US disclosed
JP-H00956396-A 0001-01-01 JP 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 (3 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-20060135617-A1 Process for producing optically active flurbiprofen QDPR, BLVRB, CYP3A5 TAAR1 281/4885SLC6A4 131/4885SLC6A3 430/4885
US-20190292164-A1 PROCESS FOR THE PREPARATION OF GLYCEROL CARBONATE GK, DGKI, DGKA TAAR1 1356/4885SLC6A4 1830/4885SLC6A3 978/4885
US-20080281125-A1 Process for Preparing Enantiopure E-(2S)-Alkyl-5-Halopent-4-Enoic Acids and Esters ENY2, RER1, EEF1E1 TAAR1 392/4885SLC6A4 436/4885SLC6A3 495/4885

“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.