SCHEMBL3585244

SCHEMBL3585244

O=C(O)N1CCCN(c2ccc(OCCCN3CCCCC3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.71
KCNH2 Q12809 2/20 0.71
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.58
POLB P06746 1/20 0.57
HRH1 P35367 4/20 0.57
HTR1A P08908 2/20 0.57
DRD2 P14416 2/20 0.57
HTR2A P28223 2/20 0.57
DRD3 P35462 2/20 0.57
TMEM97 Q5BJF2 2/20 0.57
SIGMAR1 Q99720 2/20 0.57
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL6472573 0.96 HRH3 (0.72) HRH3KCNH2ALDH1A1MAPTGAA
SCHEMBL13438263 0.88 HRH3 (0.67) HRH3KCNH2ALDH1A1HRH1DRD2
SCHEMBL3586173 0.85 HRH3 (0.71) HRH3KCNH2ALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL3581152 0.84 HRH3 (0.69) HRH3KCNH2ALDH1A1MAPTGAA
SCHEMBL21659403 0.84 HRH3 (0.68) HRH3KCNH2ALDH1A1MAPTGAA
SCHEMBL6471511 0.83 KDM4E (0.62) HRH3ALDH1A1HRH1HTR1ADRD2
SCHEMBL3581124 0.83 HRH3 (0.67) HRH3KCNH2ALDH1A1HRH1DRD2
SCHEMBL3576860 0.82 DRD2 (0.70) HRH3KCNH2ALDH1A1HRH1HTR1A
SCHEMBL3586381 0.82 HRH3 (0.66) HRH3KCNH2ALDH1A1MAPTGAA
SCHEMBL3581097 0.81 HRH3 (0.64) HRH3KCNH2ALDH1A1MAPTGAA

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
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
EP-1567511-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004035556-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-29 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-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 352/4885ALDH1A1 1903/4885

“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.