SCHEMBL13659174

SCHEMBL13659174

CCCCOc1ccc2c(c1)CCN(c1ccc(N3CC[C@@H](N(C)CCS(C)(=O)=O)C3)c(Cl)c1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
AOC3 Q16853 7/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ACACB O00763 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL4288178 0.92 MCHR1 (0.47) MCHR1THRATHRBAOC3HTR2A
SCHEMBL4291572 0.90 MCHR1 (0.46) MCHR1THRATHRBAOC3HTR2A
SCHEMBL4289456 0.81 MCHR1 (0.51) MCHR1THRATHRBAOC3HTR2A
SCHEMBL4289451 0.81 MCHR1 (0.51) MCHR1THRATHRBAOC3HTR2A
SCHEMBL13659208 0.80 MCHR1 (0.45) MCHR1THRATHRBAOC3HTR2A
SCHEMBL13659347 0.80 AOC3 (0.42) MCHR1AOC3NR1H4GPR84
SCHEMBL4292838 0.80 MCHR1 (0.49) MCHR1THRATHRBAOC3HTR2A
SCHEMBL13659211 0.80 MCHR1 (0.49) MCHR1THRATHRBAOC3HTR2A
SCHEMBL4292829 0.80 MCHR1 (0.49) MCHR1THRATHRBAOC3HTR2A
SCHEMBL4296837 0.79 MCHR1 (0.49) MCHR1THRATHRBAOC3ACACB

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 4 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-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

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 1/4885THRA 1801/4885THRB 2205/4885

“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.