SCHEMBL3594534

SCHEMBL3594534

COc1ccccc1Cn1cc(C(O)(CN2CCC(Oc3ccc(CC(=O)O)cc3OC)CC2)C(F)(F)F)c2ccc(C#N)cc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 6/20 0.35
MAPT P10636 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CHRM4 P08173 1/20 0.35
HRH2 P25021 3/20 0.35
SLC22A12 Q96S37 1/20 0.34
MCHR1 Q99705 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
SCHEMBL3601754 0.95 SLC22A12 (0.37) GPR6SIGMAR1HRH2SLC22A12
SCHEMBL3597315 0.95 GPR6 (0.36) GPR6MAPTSIGMAR1HRH2SLC22A12
SCHEMBL3597969 0.94 SLC22A12 (0.42) GPR6SIGMAR1HRH2SLC22A12
SCHEMBL3596047 0.94 SIGMAR1 (0.40) GPR6SIGMAR1CHRM4HRH2
SCHEMBL3591151 0.94 SLC22A12 (0.35) GPR6SIGMAR1HRH2SLC22A12
SCHEMBL3588625 0.93 HRH2 (0.37) GPR6SIGMAR1HRH2MCHR1
SCHEMBL16327040 0.93 USP14 (0.35) GPR6MAPTSIGMAR1CHRM4HRH2
SCHEMBL3589014 0.92 HRH2 (0.38) GPR6HRH2
SCHEMBL3598918 0.91 GPBAR1 (0.36) GPR6
SCHEMBL3593372 0.91 MEN1 (0.40) SIGMAR1HRH2MCHR1

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 154/4885MAPT 4708/4885SIGMAR1 588/4885

“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.