SCHEMBL3591886

SCHEMBL3591886

COc1cc(CCC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccn3)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.38
FFAR4 Q5NUL3 2/20 0.36
PLA2G4A P47712 1/20 0.33
NPC1 O15118 1/20 0.33
PRKAA2 P54646 1/20 0.33
CHRM4 P08173 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
RAB9A P51151 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
SCHEMBL3589484 0.94 GPR6 (0.39) GPR6PRKAA2CHRM4CYP3A4CYP2D6
SCHEMBL3596127 0.93 GPR6 (0.37) GPR6NPC1PRKAA2CHRM4CYP3A4
SCHEMBL3592187 0.92 BCHE (0.38) GPR6PLA2G4ACHRM4BCHEACHE
SCHEMBL13282444 0.89 GPR6 (0.37) GPR6PRKAA2CHRM4CYP3A4CYP2D6
SCHEMBL13254339 0.89 FFAR4 (0.36) FFAR4PLA2G4ANPC1CYP3A4CYP2D6
SCHEMBL3589821 0.89 PRKAA2 (0.37) GPR6PRKAA2CYP3A4BCHEACHE
SCHEMBL3600733 0.89 FFAR4 (0.35) FFAR4PLA2G4ANPC1CYP3A4CYP2D6
SCHEMBL3600368 0.87 BCHE (0.38) GPR6PLA2G4ACHRM4BCHEACHE
SCHEMBL3596047 0.86 SIGMAR1 (0.40) GPR6PRKAA2CHRM4
SCHEMBL3599076 0.85 USP14 (0.36) GPR6CHRM4BCHEACHE

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 GPR6 154/4885FFAR4 56/4885PLA2G4A 2410/4885

“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.