SCHEMBL13438024

SCHEMBL13438024

O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.58
KCNH2 Q12809 3/20 0.58
BCHE P06276 3/20 0.55
ACHE P22303 2/20 0.55
KCNA5 P22460 1/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
HRH1 P35367 3/20 0.50
DRD2 P14416 3/20 0.50
HTR2A P28223 3/20 0.50
HTR1A P08908 2/20 0.49
DRD3 P35462 2/20 0.49
TMEM97 Q5BJF2 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GCGR P47871 1/20 0.48

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
SCHEMBL13438116 1.00 HRH3 (0.58) HRH3KCNH2BCHEACHEKCNA5
SCHEMBL13438019 0.90 HRH3 (0.56) HRH3KCNH2KCNA5ALDH1A1GAA
SCHEMBL13438204 0.88 HRH3 (0.49) HRH3KCNH2BCHEACHEKCNA5
SCHEMBL13438166 0.87 HRH3 (0.56) HRH3ALDH1A1SMN1; SMN2
SCHEMBL6472173 0.85 GCGR (0.67) HRH3KCNH2BCHEALDH1A1GAA
SCHEMBL13437978 0.85 GCGR (0.67) HRH3KCNH2BCHEALDH1A1GAA
SCHEMBL13437969 0.85 GCGR (0.67) HRH3KCNH2BCHEALDH1A1GAA
SCHEMBL13437970 0.85 GCGR (0.67) HRH3KCNH2BCHEALDH1A1GAA
SCHEMBL13438036 0.84 HRH3 (0.58) HRH3KCNH2ALDH1A1GAAMAPT
SCHEMBL13438038 0.84 HRH3 (0.57) HRH3KCNH2ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US disclosed
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US 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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 352/4885BCHE 20/4885

“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.