SCHEMBL9560256

SCHEMBL9560256

CC1Cc2ccccc2N(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
ACHE P22303 1/20 0.47
ADRA1A P35348 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
AADAT Q8N5Z0 2/20 0.45
NOTUM Q6P988 2/20 0.45

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
SCHEMBL30489337 1.00 MAPT (0.56) MAPTHPGDACHEADRA1AADRA2A
SCHEMBL12340980 0.82 ADRA1A (0.44) MAPTHPGDADRA1AADRA2AADRA2B
SCHEMBL25556401 0.82 DRD4 (0.48) MAPTHPGDDRD2DRD4BRD4
SCHEMBL13502655 0.82 DRD4 (0.48) MAPTHPGDDRD2DRD4BRD4
SCHEMBL28136146 0.80 DRD4 (0.51) ADRA1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL28865012 0.80 ACHE (0.46) MAPTHPGDACHESLC6A2HTR2A
SCHEMBL28247488 0.80 ADRA1A (0.45) HPGDADRA1AADRA2AADRA2BADRA2C
SCHEMBL28136177 0.80 ADRA1A (0.45) HPGDADRA1AADRA2AADRA2BADRA2C
SCHEMBL22527291 0.80 DRD4 (0.43) MAPTHPGDDRD2DRD4NOTUM
Hydrochloric Acid SCHEMBL4800182 0.79 AADAT (0.63) ADRA1AADRA2AADRA2BADRA2CSLC6A2

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
JP-5255262-A None JP disclosed
CN-116043243-A Method for electrochemically synthesizing 3, 4-dihydro-quinolinone compounds 桂林电子科技大学 2023-05-02 CN disclosed
US-RE48059-E1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-23 US disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-8268815-B2 Pyrimidine compounds and use thereof ABBOTT GMBH & CO. KG (DE) 2012-09-18 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2011-05-19 US disclosed
US-7786105-B2 Pyrimidine compounds and use thereof ABBOTT GMBH & CO. KG (DE) 2010-08-31 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20080161322-A1 e.g. 1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride3,4-Dihydroquinolin-2(1H)-one; dopamine D3 receptor antagonists or agonists; antidepressant, schizophrenia, Parkinson's disease ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-07-03 US disclosed
JP-H05255262-A OPTICALLY ACTIVE QUINOLINONE DERIVATIVE AND ITS PRODUCTION MITSUI TOATSU CHEM INC 1993-10-05 JP disclosed
EP-0003532-B1 OMEGA-(2-(N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS, THEIR USE AND PREPARATION, AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-04-28 EP disclosed
EP-0003532-A1 Omega-(2-(N-lower alkyl-benzamido)-phenyl)-alkanoic acids, their use and preparation, and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-08-22 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 (6 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-20080161322-A1 e.g. 1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride3,4-Dihydroquinolin-2(1H)-one; dopamine D3 receptor antagonists or agonists; antidepressant, schizophrenia, Parkinson's disease SLC6A3, GRM3, GPR3 MAPT 1818/4885HPGD 1276/4885ACHE 2287/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A MAPT 679/4885HPGD 2207/4885ACHE 953/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 MAPT 2202/4885HPGD 1889/4885ACHE 4776/4885
US-20110118232-A1 PYRIMIDINE COMPOUNDS AND USE THEREOF CRHR1, CRHR2, MC2R MAPT 3614/4885HPGD 167/4885ACHE 3837/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 MAPT 699/4885HPGD 1608/4885ACHE 587/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 MAPT 18/4885HPGD 1454/4885ACHE 7/4885

“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.