SCHEMBL4293079

SCHEMBL4293079

CCCCOc1ccc2c(c1)CCN(c1ccc(N3CCC(N4CCCC4)C3)cc1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
AOC3 Q16853 7/20 0.44
HRH3 Q9Y5N1 4/20 0.41
GPR84 Q9NQS5 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL13659213 1.00 MCHR1 (0.49) MCHR1AOC3HRH3GPR84THRA
SCHEMBL13659195 0.92 MCHR1 (0.47) MCHR1AOC3HRH3THRATHRB
SCHEMBL13659191 0.91 MCHR1 (0.47) MCHR1AOC3HRH3GPR84THRA
SCHEMBL4289298 0.90 MCHR1 (0.46) MCHR1AOC3HRH3ITGB3ITGA2B
SCHEMBL13659194 0.89 MCHR1 (0.47) MCHR1AOC3HRH3THRATHRB
SCHEMBL13659210 0.89 MCHR1 (0.50) MCHR1AOC3HRH3GPR84THRA
SCHEMBL13659192 0.88 MCHR1 (0.46) MCHR1AOC3HRH3GPR84THRA
SCHEMBL13659193 0.86 MCHR1 (0.44) MCHR1AOC3ITGB3ITGA2B
SCHEMBL4292838 0.84 MCHR1 (0.49) MCHR1AOC3GPR84THRATHRB
SCHEMBL4292829 0.84 MCHR1 (0.49) MCHR1AOC3GPR84THRATHRB

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 11 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-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 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-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
EP-1987020-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093364-A1 AZACYCLYL-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 (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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 MCHR1 1/4885AOC3 930/4885HRH3 75/4885

“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.