SCHEMBL3590530

SCHEMBL3590530

CCC(C(=O)O)c1ccc(OC2CCN(CC(O)(c3c(C)n(Cc4ccccc4)c4cc(C#N)ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 12/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CHRM4 P08173 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PLA2G2A P14555 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
SCHEMBL14160038 0.88 SIGMAR1 (0.40) GPR6HRH3CHRM4MAOAMAOB
SCHEMBL14159981 0.87 USP14 (0.38) GPR6HRH3CHRM4MAOAMAOB
SCHEMBL3601137 0.87 GPR6 (0.35) GPR6HRH3CHRM4
SCHEMBL3589024 0.85 GPR6 (0.34) GPR6HRH3CHRM4
SCHEMBL3595718 0.85 GPR6 (0.35) GPR6HRH3CHRM4
SCHEMBL3595378 0.83 GPR6 (0.34) GPR6HRH3
SCHEMBL3594452 0.83 GPR6 (0.34) GPR6
SCHEMBL3589355 0.81 GPR6 (0.35) GPR6HRH3CHRM4
SCHEMBL3592879 0.78 HRH3 (0.44) HRH3MAOAMAOB
SCHEMBL13254371 0.77 SIGMAR1 (0.40) PLA2G2A

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 1 patent. 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

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 154/4885HRH3 832/4885CHRM4 444/4885

“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.