SCHEMBL5663170

SCHEMBL5663170

O=C1CCCN1c1cnc(Cc2ccc3c(c2)CCN(C2CCC2)CC3)cn1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.51
HRH1 P35367 2/20 0.51
CYP2D6 P10635 3/20 0.42
PARP1 P09874 1/20 0.39

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
SCHEMBL5664653 0.88 HRH3 (0.52) HRH3HRH1CYP2D6PARP1
SCHEMBL5660108 0.86 HRH3 (0.63) HRH3HRH1CYP2D6
SCHEMBL5664595 0.85 HRH3 (0.52) HRH3HRH1CYP2D6PARP1
SCHEMBL14642284 0.80 HRH3 (0.63) HRH3HRH1CYP2D6
SCHEMBL5663223 0.80 HRH3 (0.58) HRH3HRH1CYP2D6
SCHEMBL5665400 0.79 HRH3 (0.57) HRH3HRH1CYP2D6
SCHEMBL5663005 0.79 HRH3 (0.51) HRH3HRH1CYP2D6
SCHEMBL3097243 0.78 HRH3 (0.75) HRH3HRH1
SCHEMBL5662904 0.77 HRH3 (0.58) HRH3HRH1CYP2D6
SCHEMBL5662905 0.77 NR1H2 (0.44) HRH3PARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-09-06 US claimed

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-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 HRH3 1/4885HRH1 3/4885CYP2D6 2205/4885

“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.