SCHEMBL3598918

SCHEMBL3598918

CCn1cc(C(O)(CN2CCC(Oc3ccc(CC(=O)O)cc3OC)CC2)C(F)(F)F)c2ccc(C#N)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
USP14 P54578 1/20 0.34
GPR6 P46095 7/20 0.34
PRKAA2 P54646 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CNR2 P34972 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL3588625 0.94 HRH2 (0.37) GPBAR1PTGDR2GPR6
SCHEMBL3599177 0.94 PTGDR2 (0.34) GPBAR1PTGDR2GPR6PRKAA2CNR2
SCHEMBL3597848 0.94 CNR2 (0.36) GPBAR1PTGDR2NR3C1PGRNR3C2
SCHEMBL3596047 0.93 SIGMAR1 (0.40) GPR6PRKAA2MAOAMAOBHRH3
SCHEMBL3592175 0.93 SIGMAR1 (0.35) GPBAR1PTGDR2USP14GPR6PRKAA2
SCHEMBL16327043 0.93 PTGDR2 (0.35) GPBAR1PTGDR2USP14GPR6PRKAA2
SCHEMBL3587512 0.93 GPR6 (0.36) PTGDR2GPR6PRKAA2MAOAMAOB
SCHEMBL3593937 0.93 KDM1A (0.37) GPBAR1GPR6PRKAA2MAOAMAOB
SCHEMBL3586599 0.93 PRKAA2 (0.38) GPBAR1GPR6PRKAA2MAOAMAOB
SCHEMBL3589014 0.93 HRH2 (0.38) GPR6PRKAA2

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 3 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

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 GPBAR1 652/4885PTGDR2 1785/4885NR3C1 1/4885

“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.