SCHEMBL4296340

SCHEMBL4296340

CN(C(=O)OC(C)(C)C)C1CCN(c2ccc(N3CCc4cc(O)ccc4C3=O)cc2F)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.40
FPR2 P25090 2/20 0.40
F10 P00742 5/20 0.37
AAK1 Q2M2I8 1/20 0.36
PDE10A Q9Y233 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
ESR2 Q92731 1/20 0.34
MAOB P27338 6/20 0.33
MAOA P21397 3/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
CALML3 P27482 1/20 0.33
SDHA P31040 1/20 0.33
HSD11B1 P28845 1/20 0.33
MCHR1 Q99705 1/20 0.32
SPR P35270 1/20 0.32

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
SCHEMBL4296336 1.00 FPR1 (0.40) FPR1FPR2F10AAK1PDE10A
SCHEMBL4291593 0.91 FPR1 (0.38) FPR1FPR2F10AAK1PDE10A
SCHEMBL4291585 0.91 FPR1 (0.38) FPR1FPR2F10AAK1PDE10A
SCHEMBL4289453 0.87 MCHR1 (0.47) FPR1FPR2F10MCHR1
SCHEMBL4287520 0.86 FPR1 (0.49) FPR1FPR2F10ESR2MAOB
SCHEMBL4287527 0.86 FPR1 (0.49) FPR1FPR2F10ESR2MAOB
SCHEMBL4301104 0.86 MCHR1 (0.37) FPR1FPR2F10AAK1PDE10A
SCHEMBL4301100 0.86 MCHR1 (0.37) FPR1FPR2F10AAK1PDE10A
SCHEMBL4301112 0.86 MCHR1 (0.37) FPR1FPR2F10AAK1PDE10A
SCHEMBL13659260 0.81 FPR1 (0.49) FPR1FPR2F10MAOBMAOA

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 3 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

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 534/4885F10 4781/4885

“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.