Sugi Predict

Sugi Predict / Compounds / SCHEMBL4287520

SCHEMBL4287520

SCHEMBL4287520

CN(C)[C@@H]1CCN(c2ccc(N3CCc4cc(O)ccc4C3=O)cc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR1 P21462 2/20 0.49
▸ FPR2 P25090 2/20 0.49
▸ WDR5 P61964 3/20 0.39
▸ AOC3 Q16853 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ MAOB P27338 4/20 0.35
▸ MAOA P21397 2/20 0.35
▸ F10 P00742 3/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ CALML3 P27482 1/20 0.34
▸ SDHA P31040 1/20 0.34
▸ LCK P06239 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
SCHEMBL4287527 1.00 FPR1 (0.49) FPR1FPR2WDR5AOC3CHEK2
SCHEMBL4288189 0.90 WDR5 (0.41) FPR1FPR2WDR5AOC3DRD2
SCHEMBL13659205 0.89 FPR1 (0.46) FPR1FPR2WDR5AOC3CHEK2
SCHEMBL4290289 0.89 FPR1 (0.47) FPR1FPR2WDR5AOC3MAOB
SCHEMBL4290282 0.89 FPR1 (0.47) FPR1FPR2WDR5AOC3MAOB
SCHEMBL13659199 0.88 FPR1 (0.46) FPR1FPR2WDR5AOC3MAOB
SCHEMBL4296988 0.88 FPR1 (0.47) FPR1FPR2WDR5AOC3CHEK2
SCHEMBL4296992 0.88 FPR1 (0.47) FPR1FPR2WDR5AOC3CHEK2
SCHEMBL4296913 0.88 FPR1 (0.45) FPR1FPR2WDR5AOC3CHEK2
SCHEMBL4296914 0.88 FPR1 (0.45) FPR1FPR2WDR5AOC3CHEK2

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 6 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
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
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 FPR1 626/4885FPR2 534/4885WDR5 2154/4885

“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.