SCHEMBL8011990

SCHEMBL8011990

Cc1ccc(C(CN)C(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.65
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
CHRNA7 P36544 1/20 0.38
STAT3 P40763 1/20 0.38
ACHE P22303 3/20 0.37
ALOX5 P09917 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
CA7 P43166 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NEK1 Q96PY6 1/20 0.34

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
SCHEMBL11627988 0.80 TAAR1 (0.63) TAAR1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL2086605 0.80 TAAR1 (0.63) TAAR1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL11436330 0.80 TAAR1 (0.63) TAAR1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL17892071 0.80 TAAR1 (0.63) TAAR1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL17892258 0.80 TAAR1 (0.63) TAAR1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL17892070 0.80 TAAR1 (0.63) TAAR1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL23188100 0.79 ESR1 (0.48) TAAR1SLC6A2SLC6A3CYP1A2CHRNA7
SCHEMBL247628 0.79 TAAR1 (1.00) TAAR1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL5351663 0.79 TAAR1 (1.00) TAAR1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL5005843 0.79 TAAR1 (1.00) TAAR1SLC6A2SLC6A4SLC6A3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529835-B1 Optical resolution of (+/-)-2-(4-isobutylphenyl) propionic acid NAGASE & CO LTD (JP) 1997-01-22 EP claimed
JP-61172853-A None JP disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-6093830-A Enantioselective resolution process for arylpropionic acid drugs from the racemic mixture COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2000-07-25 US disclosed
US-5969186-A COMPLEXING WITH AN ALKALI METAL AND POLYCYCLIC AROMATIC HYDROCARBON NAGASE & COMPANY, LTD. (JP) 1999-10-19 US disclosed
EP-0900780-A1 METHOD FOR RACEMIZATION OF OPTICALLY ACTIVE AMINES NAGASE & COMPANY, LTD. (JP) 1999-03-10 EP disclosed
US-5852209-A Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & CO., LTD. (JP) 1998-12-22 US disclosed
US-5621140-A Resolution of ibuprofen SYNTEX (U.S.A.) INC. (US) 1997-04-15 US disclosed
EP-0529835-B1 Optical resolution of (+/-)-2-(4-isobutylphenyl) propionic acid NAGASE & CO LTD (JP) 1997-01-22 EP disclosed
WO-1996019431-A1 RESOLUTION OF IBUPROFEN USING A N-ALKYL-D-GLUCAMINE F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed
EP-0703212-A1 Process for optically resolving 2-(3-benzoylphenyl) propionic acid NAGASE & COMPANY, LTD. (JP) 1996-03-27 EP disclosed
US-5321154-A Optical resolution of (±)-2-(4-isobutylphenyl)-propionic acid NAGASE & COMPANY, LTD. (JP) 1994-06-14 US disclosed
CN-1022482-C Optical resolution method of (+/-) -cis or (+/-) -trans-dichlorochrysanthemic acid KURRAY CO LTD (JP) 1993-10-20 CN disclosed
EP-0529835-A2 Optical resolution of (+/-)-2-(4-isobutylphenyl) propionic acid NAGASE & COMPANY, LTD. (JP) 1993-03-03 EP disclosed
US-5191112-A Salt formation, crystallization NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-02 US disclosed
EP-0298480-B1 PROCESS FOR THE OPTICAL RESOLUTION OF (+)-CIS OR (+)-TRANS-PERMETHRIC ACID Kuraray Co., Ltd. (JP) 1992-10-14 EP disclosed
CN-1031221-A (±)-along or the encompasses processes for optical resolution of (±)-anti--dichlor chrysanthemic acid KURARAY CO (JP) 1989-02-22 CN disclosed
JP-S61172853-A OPTICAL RESOLUTION OF (+-)-TRANS-CHRYSANTHEMUM-CARBOXILIC ACID NOHIRA HIROYUKI 1986-08-04 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 (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-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E TAAR1 3345/4885SLC6A2 4210/4885SLC6A4 4324/4885

“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.