SCHEMBL3587512

SCHEMBL3587512

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.36
KDM1A O60341 1/20 0.35
HRH2 P25021 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
POLB P06746 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
PRKAA2 P54646 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PTGDR Q13258 2/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
PDE5A O76074 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
SCHEMBL3596047 0.95 SIGMAR1 (0.40) GPR6HRH2SIGMAR1PRKAA2MAOA
SCHEMBL3588625 0.95 HRH2 (0.37) GPR6HRH2SIGMAR1POLBUTS2R
SCHEMBL3593937 0.95 KDM1A (0.37) GPR6KDM1AHRH2SIGMAR1PRKAA2
SCHEMBL3589014 0.95 HRH2 (0.38) GPR6HRH2PRKAA2PRKAB2PRKAG1
SCHEMBL3586599 0.95 PRKAA2 (0.38) GPR6HRH2SIGMAR1PRKAA2MAOA
SCHEMBL3588718 0.94 SIGMAR1 (0.35) GPR6HRH2SIGMAR1POLBUTS2R
SCHEMBL3596013 0.94 GPR6 (0.35) GPR6HRH2SIGMAR1PRKAA2MAOA
SCHEMBL3598918 0.93 GPBAR1 (0.36) GPR6PRKAA2MAOAMAOBPTGDR2
SCHEMBL13282377 0.92 USP14 (0.35) GPR6KDM1AHRH2POLBUTS2R
SCHEMBL3597969 0.92 SLC22A12 (0.42) GPR6HRH2SIGMAR1UTS2RPTGDR2

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 154/4885KDM1A 3709/4885HRH2 1095/4885

“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.