SCHEMBL4411993

SCHEMBL4411993

COc1cc(OC)c2cnccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.60
CYP3A4 P08684 4/20 0.51
CYP1A2 P05177 3/20 0.51
MAPT P10636 3/20 0.51
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PDGFRB P09619 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
PDGFRA P16234 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACHE P22303 1/20 0.45
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
CYP11B1 P15538 3/20 0.43

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
SCHEMBL29831723 1.00 MAOA (0.60) MAOACYP3A4CYP1A2MAPTCYP2C19
SCHEMBL13087702 0.82 MAOA (0.51) MAOACYP3A4CYP1A2MAPTCYP2C19
SCHEMBL2423594 0.82 MAOA (0.51) MAOACYP3A4CYP1A2MAPTCYP2C19
SCHEMBL11176425 0.81 MAOA (0.58) MAOACYP3A4CYP1A2MAPTCYP2C19
SCHEMBL11183612 0.81 MAOA (0.50) MAOACYP3A4CYP1A2MAPTCYP2C19
SCHEMBL23166970 0.81 MAOA (0.58) MAOACYP3A4CYP1A2MAPTCYP2C19
SCHEMBL23717075 0.79 MAOA (0.57) MAOACYP3A4CYP1A2MAPTCYP2C19
SCHEMBL23717022 0.78 MAOA (0.55) MAOACYP3A4CYP1A2MAPTCYP2C19
SCHEMBL21237191 0.78 MAOA (0.47) MAOACYP3A4CYP1A2MAPTCYP2C19
SCHEMBL13087968 0.78 MAOA (0.47) MAOACYP3A4CYP1A2MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP claimed
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
EP-2061465-B1 DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS VALEANT PHARMACEUTICALS INT (US) 2013-04-10 EP disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
CN-101928245-A 8-hydroxyl or methoxyl-2-aryl-1-isoquinolines, synthesis method and application thereof UNIV XI AN JIAOTONG 2010-12-29 CN disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
EP-1663983-B1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2009-01-21 EP disclosed
EP-1663983-A1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2006-06-07 EP disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 US disclosed
WO-2004113302-A1 N-SUBSTITUTED 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2004-12-29 WO disclosed
EP-1489071-A1 N-substituted, 3,4-dihydro-1H-isoquinoline as potassium channels modulators 4SC AG (DE) 2004-12-22 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 (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-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP MAOA 16/4885CYP3A4 807/4885CYP1A2 586/4885
US-20050070570-A1 Novel potassium channels modulators HCN4, KCNA4, KCNN4 MAOA 2899/4885CYP3A4 172/4885CYP1A2 1245/4885

“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.