SCHEMBL1026470

SCHEMBL1026470

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(N3CCc4cc(-c5ccccc5)ccc4C3=O)cc1Cl)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
OPRD1 P41143 1/20 0.38
MCHR1 Q99705 3/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
UGCG Q16739 1/20 0.35
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34

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
SCHEMBL1026471 1.00 HRH3 (0.40) HRH3SLC6A2SLC6A3DRD2DRD4
SCHEMBL13903295 0.94 CYP2D6 (0.39) SLC6A3DRD3CYP11B1CYP11B2HTR3E
SCHEMBL13903281 0.92 HRH3 (0.42) HRH3SLC6A2SLC6A3DRD3UGCG
SCHEMBL13903289 0.90 HRH3 (0.43) HRH3MCHR1UGCG
SCHEMBL1022379 0.87 CYP2D6 (0.36) CYP11B1CYP11B2HTR3EHTR3BHTR3A
SCHEMBL1022381 0.87 CYP2D6 (0.36) CYP11B1CYP11B2HTR3EHTR3BHTR3A
SCHEMBL1022929 0.87 CYP2D6 (0.36) CYP11B1CYP11B2HTR3EHTR3BHTR3A
SCHEMBL13903199 0.87 GRM5 (0.49) SLC6A2SLC6A3
SCHEMBL1023790 0.85 HRH3 (0.38) HRH3DRD2DRD4
SCHEMBL1023791 0.85 HRH3 (0.38) HRH3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US 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-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
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US 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

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-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 HRH3 40/4885SLC6A2 257/4885SLC6A3 1371/4885

“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.