SCHEMBL3600368

SCHEMBL3600368

COc1cc(CCC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3ccc(C#N)cc23)C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
PLA2G4A P47712 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR6 P46095 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CHRM4 P08173 1/20 0.35

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) BCHEACHEPLA2G4ALMNAMEN1
SCHEMBL3582451 0.93 BCHE (0.36) BCHEACHELMNAMEN1KMT2A
SCHEMBL3589821 0.90 PRKAA2 (0.37) BCHEACHEGPR6HRH3
SCHEMBL13254431 0.89 BCHE (0.38) BCHEACHEPLA2G4ALMNAMEN1
SCHEMBL3596047 0.88 SIGMAR1 (0.40) LMNASMN1; SMN2GPR6HRH3CHRM2
SCHEMBL3599076 0.88 USP14 (0.36) BCHEACHELMNAMEN1KMT2A
SCHEMBL3602122 0.88 BCHE (0.38) BCHEACHEPLA2G4ALMNAMEN1
SCHEMBL3591504 0.88 HRH3 (0.36) BCHEACHEMEN1KMT2AGPR6
SCHEMBL3591886 0.87 GPR6 (0.38) BCHEACHEPLA2G4AGPR6CHRM4
SCHEMBL3595768 0.87 BCHE (0.40) BCHEACHEPLA2G4ALMNAMEN1

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 BCHE 3002/4885ACHE 3194/4885PLA2G4A 2410/4885

“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.