SCHEMBL1787868

SCHEMBL1787868

N#Cc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.52
CYP2D6 P10635 4/20 0.52
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
PNMT P11086 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
SCHEMBL5453321 0.88 HRH3 (0.48) HRH3CYP2D6DRD2DRD3
SCHEMBL5169739 0.86 HRH3 (0.49) HRH3CYP2D6
SCHEMBL5463907 0.85 MEN1 (0.47) HRH3CYP2D6DRD2DRD3
SCHEMBL5466163 0.82 DRD3 (0.49) HRH3CYP2D6DRD2DRD3
SCHEMBL3094845 0.81 HRH3 (0.56) HRH3CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL4767360 0.80 NAMPT (0.59)
SCHEMBL4765204 0.80 HRH3 (0.44) HRH3CYP2D6
SCHEMBL5456667 0.80 MEN1 (0.46) HRH3CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3098173 0.80 HRH3 (0.73) HRH3CYP2D6
SCHEMBL4775935 0.80 EPHX1 (0.48) HRH3

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 HRH3 2/4885CYP2D6 359/4885SLC6A2 598/4885

“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.