SCHEMBL5664653

SCHEMBL5664653

O=C1CCCN1c1ccc(Cc2ccc3c(c2)CCN(C2CCC2)CC3)cn1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.52
HRH1 P35367 1/20 0.52
PARP1 P09874 2/20 0.49
CYP2D6 P10635 3/20 0.43
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41

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
SCHEMBL5664595 0.98 HRH3 (0.52) HRH3HRH1PARP1CYP2D6KLKB1
SCHEMBL5663170 0.88 HRH3 (0.51) HRH3HRH1PARP1CYP2D6
SCHEMBL5171095 0.86 HRH3 (0.55) HRH3HRH1CYP2D6
SCHEMBL5184270 0.86 HRH3 (0.55) HRH3HRH1CYP2D6
SCHEMBL5663223 0.84 HRH3 (0.58) HRH3HRH1CYP2D6
SCHEMBL5665400 0.83 HRH3 (0.57) HRH3HRH1CYP2D6
SCHEMBL1792027 0.82 KLKB1 (0.49) HRH3HRH1KLKB1KLK1
SCHEMBL5660108 0.81 HRH3 (0.63) HRH3HRH1CYP2D6
SCHEMBL5172493 0.80 HRH3 (0.48) HRH3HRH1CYP2D6
SCHEMBL5172739 0.78 HRH3 (0.54) HRH3HRH1CYP2D6

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 3/4885PARP1 2453/4885

“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.