SCHEMBL1072315

SCHEMBL1072315

O=C(Nc1ccccc1)c1ccccc1CCO

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
ADRB2 P07550 1/20 0.73
BCAT2 O15382 1/20 0.68
CYP3A4 P08684 3/20 0.66
CYP2C19 P33261 2/20 0.66
CYP1A2 P05177 1/20 0.66
KDM4E B2RXH2 2/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CHRNB2 P17787 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA4 P43681 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 2/20 0.56
TP53 P04637 2/20 0.56
HTT P42858 2/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL1193435 0.86 BCAT2 (0.72) ALDH1A1ADRB2BCAT2CYP3A4CYP2C19
SCHEMBL5595491 0.85 ALDH1A1 (0.71) ALDH1A1ADRB2BCAT2CYP3A4CYP2C19
SCHEMBL19259498 0.82 BCAT2 (0.72) ALDH1A1ADRB2BCAT2CYP3A4CYP2C19
SCHEMBL6271944 0.82 ALDH1A1 (0.68) ALDH1A1ADRB2BCAT2CYP3A4CYP2C19
SCHEMBL8866839 0.82 ALDH1A1 (0.51) ALDH1A1ADRB2BCAT2CYP3A4CYP2C19
SCHEMBL3744047 0.81 ALDH1A1 (0.66) ALDH1A1ADRB2BCAT2CYP3A4CYP2C19
SCHEMBL27819009 0.81 BCAT2 (0.70) ALDH1A1ADRB2BCAT2CYP3A4CYP2C19
SCHEMBL18397802 0.81 BCAT2 (0.70) ALDH1A1ADRB2BCAT2CYP3A4CYP2C19
SCHEMBL16088833 0.81 BCAT2 (0.73) ALDH1A1ADRB2BCAT2CYP3A4CYP2C19
SCHEMBL7380269 0.80 ALDH1A1 (0.64) ALDH1A1ADRB2BCAT2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
US-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US disclosed
US-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
EP-1987006-B1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
CN-101384555-A Novel aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-03-11 CN disclosed
CN-101384583-A Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI AVENTIS (FR) 2009-03-11 CN disclosed
EP-1987020-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
EP-1987006-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093366-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed
WO-2007093364-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO 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-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 ALDH1A1 483/4885ADRB2 7/4885BCAT2 65/4885
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 ALDH1A1 1961/4885ADRB2 36/4885BCAT2 1631/4885

“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.