SCHEMBL1789927

SCHEMBL1789927

CC(C)(C)OC(=O)N1CCc2ccc(C(=O)OCC3CCN(Cc4ccccc4)CC3)cc2CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.57
DRD4 P21917 2/20 0.57
ACHE P22303 12/20 0.51
CHRM3 P20309 1/20 0.48
BCHE P06276 2/20 0.47
MAOB P27338 1/20 0.46
CHRM4 P08173 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL1786901 0.85 DRD2 (0.64) DRD2DRD4ACHECHRM3BCHE
Hydrochloric Acid SCHEMBL1786844 0.81 ACHE (0.69) DRD2DRD4ACHECHRM3BCHE
SCHEMBL4209884 0.78 KDM4E (0.65) DRD2DRD4KDM4EPKM
SCHEMBL29201760 0.78 CHRM4 (0.60) DRD2DRD4CHRM3CHRM4KDM4E
SCHEMBL6807533 0.78 MAPK14 (0.53) DRD4KDM4EPKM
SCHEMBL7849387 0.78 GPR119 (0.55) DRD2DRD4CHRM4
SCHEMBL31162867 0.77 NR1H2 (0.57) CHRM4
SCHEMBL8478310 0.77 GPR119 (0.57) ACHECHRM3BCHEMAOBCHRM4
SCHEMBL7848865 0.77 CHRM4 (0.47) ACHECHRM4KDM4EPKM
SCHEMBL7847033 0.77 GPR119 (0.61) ACHEBCHEMAOBCHRM4

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
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 DRD2 79/4885DRD4 243/4885ACHE 624/4885

“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.