SCHEMBL3587160

SCHEMBL3587160

C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)CCN1c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.65
HRH1 P35367 5/20 0.65
CYP2D6 P10635 1/20 0.65
KCNH2 Q12809 3/20 0.62
KCNA5 P22460 1/20 0.52
HRH2 P25021 2/20 0.52
CYP3A4 P08684 1/20 0.51
DRD2 P14416 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL3583931 0.87 HRH3 (0.58) HRH3HRH1CYP2D6KCNH2HRH2
SCHEMBL14565799 0.84 HRH3 (0.73) HRH3HRH1CYP2D6KCNH2KCNA5
SCHEMBL3587285 0.83 POLB (0.56) HRH3HRH1KCNH2MAOB
SCHEMBL3589184 0.83 HRH3 (0.60) HRH3HRH1CYP2D6KCNH2HRH2
SCHEMBL3583479 0.82 HRH3 (0.58) HRH3HRH1CYP2D6KCNH2HRH2
SCHEMBL3586483 0.80 HRH3 (0.58) HRH3HRH1CYP2D6KCNH2KCNA5
SCHEMBL14006871 0.80 HRH3 (0.98) HRH3HRH1CYP2D6KCNH2CYP3A4
SCHEMBL14006770 0.80 HRH3 (0.98) HRH3HRH1CYP2D6KCNH2CYP3A4
SCHEMBL14006843 0.79 HRH3 (0.96) HRH3HRH1CYP2D6KCNH2CYP3A4
SCHEMBL4670297 0.78 HRH3 (0.62) HRH3HRH1CYP2D6KCNH2KCNA5

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 5 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-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 1/4885HRH1 4/4885CYP2D6 2710/4885

“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.