SCHEMBL3593937

SCHEMBL3593937

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.37
HRH2 P25021 3/20 0.36
GPR6 P46095 4/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
PRKAA2 P54646 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
SCHEMBL3596047 0.95 SIGMAR1 (0.40) HRH2GPR6MAOAMAOBSIGMAR1
SCHEMBL3588625 0.95 HRH2 (0.37) HRH2GPR6SIGMAR1GPBAR1
SCHEMBL3586599 0.95 PRKAA2 (0.38) HRH2GPR6MAOAMAOBSIGMAR1
SCHEMBL3589014 0.95 HRH2 (0.38) HRH2GPR6PRKAA2
SCHEMBL3587512 0.95 GPR6 (0.36) KDM1AHRH2GPR6MAOAMAOB
SCHEMBL3589171 0.94 ALDH1A1 (0.36) KDM1AHRH2GPR6SIGMAR1
SCHEMBL3596013 0.94 GPR6 (0.35) HRH2GPR6MAOAMAOBSIGMAR1
SCHEMBL13282408 0.93 KDM1A (0.36) KDM1AHRH2GPR6MAOAMAOB
SCHEMBL3598918 0.93 GPBAR1 (0.36) GPR6MAOAMAOBGPBAR1PRKAA2
SCHEMBL3588718 0.92 SIGMAR1 (0.35) HRH2GPR6MAOAMAOBSIGMAR1

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 KDM1A 3709/4885HRH2 1095/4885GPR6 154/4885

“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.