SCHEMBL3597848

SCHEMBL3597848

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(CC3CC3)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
HRH1 P35367 4/20 0.34
CCR3 P51677 4/20 0.34
KCNH2 Q12809 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GPR6 P46095 8/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 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
SCHEMBL3589056 0.97 CNR1 (0.35) CNR2CNR1HRH1CCR3KCNH2
SCHEMBL3598918 0.94 GPBAR1 (0.36) CNR2PTGDR2GPR6GPBAR1NR3C1
SCHEMBL16327043 0.93 PTGDR2 (0.35) CNR2PTGDR2GPR6GPBAR1
SCHEMBL3599177 0.93 PTGDR2 (0.34) CNR2PTGDR2GPR6GPBAR1
SCHEMBL3588625 0.93 HRH2 (0.37) PTGDR2GPR6GPBAR1
SCHEMBL3596047 0.91 SIGMAR1 (0.40) GPR6
SCHEMBL3592175 0.91 SIGMAR1 (0.35) CNR2PTGDR2GPR6GPBAR1
SCHEMBL3593937 0.91 KDM1A (0.37) GPR6GPBAR1
SCHEMBL3587512 0.91 GPR6 (0.36) PTGDR2GPR6
SCHEMBL3586599 0.91 PRKAA2 (0.38) GPR6GPBAR1

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 CNR2 1364/4885CNR1 582/4885HRH1 1293/4885

“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.