SCHEMBL3589821

SCHEMBL3589821

COc1ccc(Cn2cc(C(O)(CN3CCC(Oc4ccc(CCC(=O)O)cc4OC)CC3)C(F)(F)F)c3ccc(C#N)cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 4/20 0.37
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GPR6 P46095 4/20 0.36
UTS2R Q9UKP6 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP3A4 P08684 1/20 0.34
PTBP1 P26599 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MCHR1 Q99705 1/20 0.34
HRH2 P25021 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
SCHEMBL3592187 0.95 BCHE (0.38) GPR6UTS2RHRH3BCHEACHE
SCHEMBL3586599 0.94 PRKAA2 (0.38) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3600054 0.93 USP14 (0.36) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3600368 0.90 BCHE (0.38) GPR6HRH3BCHEACHE
SCHEMBL3591886 0.89 GPR6 (0.38) PRKAA2GPR6CYP3A4BCHEACHE
SCHEMBL3596047 0.89 SIGMAR1 (0.40) PRKAA2MAOAMAOBGPR6HRH3
SCHEMBL3588625 0.89 HRH2 (0.37) GPR6UTS2RPDE4APDE4BPDE4C
SCHEMBL3599076 0.89 USP14 (0.36) GPR6HRH3BCHEACHE
SCHEMBL13282449 0.89 MAOA (0.36) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13254367 0.89 PLA2G4A (0.34) UTS2RPTBP1HRH2BCHEACHE

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 PRKAA2 2729/4885PRKAB2 3133/4885PRKAG1 3104/4885

“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.