SCHEMBL4301100

SCHEMBL4301100

CC(O)COc1ccc2c(c1)CCN(c1ccc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)c(F)c1)C2=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
AOC3 Q16853 9/20 0.37
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
ACACB O00763 5/20 0.35
F10 P00742 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL4301112 1.00 MCHR1 (0.37) MCHR1AOC3FPR1FPR2ACACB
SCHEMBL4301104 1.00 MCHR1 (0.37) MCHR1AOC3FPR1FPR2ACACB
SCHEMBL4289453 0.90 MCHR1 (0.47) MCHR1AOC3FPR1FPR2F10
SCHEMBL4291585 0.89 FPR1 (0.38) MCHR1AOC3FPR1FPR2ACACB
SCHEMBL4291593 0.89 FPR1 (0.38) MCHR1AOC3FPR1FPR2ACACB
SCHEMBL4296336 0.86 FPR1 (0.40) MCHR1FPR1FPR2F10AAK1
SCHEMBL4296340 0.86 FPR1 (0.40) MCHR1FPR1FPR2F10AAK1
SCHEMBL13659312 0.84 FPR1 (0.42) MCHR1AOC3FPR1FPR2
SCHEMBL4288168 0.83 AOC3 (0.42) MCHR1AOC3FPR1FPR2ACACB
SCHEMBL4288172 0.83 AOC3 (0.42) MCHR1AOC3FPR1FPR2ACACB

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 5 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

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 930/4885FPR1 626/4885

“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.