SCHEMBL5351663

SCHEMBL5351663

CC(C)[C@@H](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
SCHEMBL5005843 1.00 TAAR1 (1.00) TAAR1SLC6A4SLC6A3SLC6A2HTR2A
SCHEMBL247628 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214820-B2 Process for producing optically active flurbiprofen NAGASE & CO., LTD. (JP) 2007-05-08 US 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-6028217-A CHEMICAL INTERMEDIATE FOR RENIN INHIBITOR OR ENKEPHALINASE ENZYME INHIBITOR AJINOMOTO CO., INC. (JP) 2000-02-22 US claimed
EP-0906900-A1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid Ajinomoto Co., Inc. (JP) 1999-04-07 EP claimed
US-5852209-A Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & CO., LTD. (JP) 1998-12-22 US claimed
EP-0703212-A1 Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & COMPANY, LTD. (JP) 1996-03-27 EP claimed
JP-10158210-A None JP disclosed
JP-8151344-A None JP disclosed
US-20240300908-A1 CHIRAL 3-SULFINYL BENZOIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2024-09-12 US disclosed
EP-4367106-A1 CHIRAL 3-SULFINYL BENZOIC ACIDS Bayer Aktiengesellschaft (DE) 2024-05-15 EP disclosed
CN-117616016-A Chiral 3-sulfinyl benzoic acid 拜耳公司 2024-02-27 CN disclosed
WO-2023280773-A1 CHIRAL 3-SULFINYL BENZOIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-12 WO disclosed
EP-0906900-A1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid Ajinomoto Co., Inc. (JP) 1999-04-07 EP disclosed
US-5852209-A Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & CO., LTD. (JP) 1998-12-22 US disclosed
US-5852209-A Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & CO., LTD. (JP) 1998-12-22 US disclosed
JP-H10158210-A OPTICAL RESOLUTION OF 2-(6-METHOXY-2NAPHTHYL)PROPIONIC ACID NAGASE & CO LTD 1998-06-16 JP disclosed
JP-H08151344-A METHOD FOR OPTICALLY RESOLVING 2-(3-BENZOYLPHENYL) PROPIONIC ACID NAGASE & CO LTD 1996-06-11 JP disclosed
EP-0703212-A1 Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & COMPANY, LTD. (JP) 1996-03-27 EP disclosed
EP-0703212-A1 Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & COMPANY, LTD. (JP) 1996-03-27 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 (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-20060135617-A1 Process for producing optically active flurbiprofen QDPR, BLVRB, CYP3A5 TAAR1 281/4885SLC6A4 131/4885SLC6A3 430/4885
US-20240300908-A1 CHIRAL 3-SULFINYL BENZOIC ACIDS STS, ARSA, TST TAAR1 2232/4885SLC6A4 2350/4885SLC6A3 1186/4885

“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.