SCHEMBL3589484

SCHEMBL3589484

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
PRKAA2 P54646 1/20 0.33
CHRM4 P08173 1/20 0.33
PDE5A O76074 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL3591886 0.94 GPR6 (0.38) GPR6CYP3A4CYP2D6SLC5A7PRKAA2
SCHEMBL13282444 0.93 GPR6 (0.37) GPR6MEN1CYP1A2CYP2C19KMT2A
SCHEMBL3596047 0.92 SIGMAR1 (0.40) GPR6SIGMAR1PRKAA2CHRM4
SCHEMBL3588625 0.91 HRH2 (0.37) GPR6PTGDR2MEN1KMT2ASIGMAR1
SCHEMBL3596013 0.90 GPR6 (0.35) GPR6SIGMAR1PRKAA2
SCHEMBL3594534 0.90 GPR6 (0.35) GPR6SIGMAR1CHRM4
SCHEMBL3596127 0.90 GPR6 (0.37) GPR6CYP3A4CYP2D6SLC5A7PRKAA2
SCHEMBL3598918 0.89 GPBAR1 (0.36) GPR6PTGDR2PRKAA2
SCHEMBL3604769 0.89 GPR6 (0.34) GPR6PTGDR2KMT2ASIGMAR1PRKAA2
SCHEMBL13254175 0.89 PTGDR2 (0.34) PTGDR2MEN1CYP1A2CYP2C19KMT2A

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 154/4885PTGDR2 1785/4885MEN1 3628/4885

“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.