SCHEMBL3591504

SCHEMBL3591504

COc1cc(CCC(=O)O)cc(OC)c1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
ACHE P22303 4/20 0.35
BCHE P06276 3/20 0.35
SIGMAR1 Q99720 1/20 0.34
CHRM2 P08172 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR6 P46095 2/20 0.34
CHRM1 P11229 2/20 0.33
CHRM4 P08173 2/20 0.33
BACE1 P56817 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL3589687 0.96 HRH3 (0.35) HRH3ACHEBCHESIGMAR1CHRM2
SCHEMBL3590798 0.93 USP14 (0.34) HRH3ACHEBCHESIGMAR1CHRM2
SCHEMBL3592187 0.93 BCHE (0.38) HRH3ACHEBCHESIGMAR1CHRM2
SCHEMBL3593301 0.91 CNR2 (0.36) ACHEBCHEGPR6CNR1CNR2
SCHEMBL3602823 0.91 HRH3 (0.33) HRH3ACHEBCHESIGMAR1CHRM2
SCHEMBL3590608 0.91 ACHE (0.37) ACHEBCHESIGMAR1MEN1KMT2A
SCHEMBL14160082 0.90 PLA2G4A (0.38) HRH3MEN1KMT2AGPR6
SCHEMBL3599436 0.90 BCHE (0.37) ACHEBCHESIGMAR1MEN1KMT2A
SCHEMBL3583725 0.89 HRH3 (0.37) HRH3ACHEBCHECHRM2GPR6
SCHEMBL3600425 0.89 OPRK1 (0.39) ACHEBCHESIGMAR1MEN1KMT2A

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 HRH3 832/4885ACHE 3194/4885BCHE 3002/4885

“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.