SCHEMBL13438043

SCHEMBL13438043

Cc1c(C)c(C)c(C(=O)N2CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)c(C)c1C

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.63
KCNH2 Q12809 5/20 0.63
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
HRH1 P35367 3/20 0.54
POLB P06746 1/20 0.54
MAPK14 Q16539 1/20 0.54
HRH4 Q9H3N8 1/20 0.53
KDM4E B2RXH2 1/20 0.52
DRD2 P14416 1/20 0.52
APP P05067 1/20 0.52

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
SCHEMBL13437964 0.85 OPRK1 (0.56) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL3586173 0.85 HRH3 (0.71) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL13438036 0.84 HRH3 (0.58) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL6472573 0.83 HRH3 (0.72) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL21659403 0.83 HRH3 (0.68) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL3581124 0.82 HRH3 (0.67) HRH3KCNH2ALDH1A1HRH1KDM4E
SCHEMBL13438037 0.82 HRH3 (0.57) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL13438115 0.82 HRH3 (0.57) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL3576860 0.82 DRD2 (0.70) HRH3KCNH2ALDH1A1HRH1HRH4
SCHEMBL3576605 0.82 HRH3 (0.64) HRH3KCNH2ALDH1A1HRH1KDM4E

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 352/4885MAPT 141/4885

“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.