SCHEMBL3589014

SCHEMBL3589014

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccc(F)cc3)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.38
GPR6 P46095 12/20 0.37
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3596047 0.95 SIGMAR1 (0.40) HRH2GPR6PRKAA2
SCHEMBL3588625 0.95 HRH2 (0.37) HRH2GPR6
SCHEMBL3593937 0.95 KDM1A (0.37) HRH2GPR6PRKAA2
SCHEMBL3587512 0.95 GPR6 (0.36) HRH2GPR6PRKAB2PRKAG1PRKAA2
SCHEMBL3586599 0.95 PRKAA2 (0.38) HRH2GPR6PRKAB2PRKAG1PRKAA2
SCHEMBL3585685 0.94 KMT2A (0.41) HRH2GPR6
SCHEMBL3596013 0.94 GPR6 (0.35) HRH2GPR6PRKAB2PRKAG1PRKAA2
SCHEMBL3598918 0.93 GPBAR1 (0.36) GPR6PRKAA2
SCHEMBL13282331 0.92 GPR6 (0.36) HRH2GPR6PRKAB2PRKAG1PRKAA2
SCHEMBL3594534 0.92 GPR6 (0.35) HRH2GPR6

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 HRH2 1095/4885GPR6 154/4885PRKAB2 3133/4885

“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.