SCHEMBL5168700

SCHEMBL5168700

O=C(O)c1ccc(Cc2ccc3c(c2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.54
KDM2B Q8NHM5 2/20 0.51
CYP2D6 P10635 2/20 0.50
RXRB P28702 3/20 0.48
RXRA P19793 2/20 0.45
RXRG P48443 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5170917 0.89 HRH3 (0.57) HRH3KDM2BCYP2D6
SCHEMBL5663691 0.86 HRH3 (0.59) HRH3KDM2B
SCHEMBL5660240 0.86 HRH3 (0.72) HRH3KDM2BCYP2D6
SCHEMBL1787354 0.86 ALDH1A1 (0.60) HRH3KDM2BCYP2D6ALDH1A1
SCHEMBL5663618 0.85 HRH3 (0.58) HRH3KDM2BALDH1A1
SCHEMBL5661749 0.85 HRH3 (0.53) HRH3KDM2BCYP2D6
SCHEMBL1789577 0.83 HRH3 (0.51) HRH3KDM2BCYP2D6
SCHEMBL5172739 0.83 HRH3 (0.54) HRH3CYP2D6
SCHEMBL14339379 0.83 HRH3 (0.75) HRH3CYP2D6RXRBRXRARXRG
SCHEMBL5663773 0.83 HRH3 (0.62) HRH3KDM2BCYP2D6

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 6 patents. 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
US-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-09-06 US disclosed
US-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-09-06 US disclosed
US-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-09-06 US disclosed
EP-1778643-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-05-02 EP disclosed
WO-2006018260-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H 3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-02-23 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-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 HRH3 1/4885KDM2B 477/4885CYP2D6 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.