SCHEMBL3586173

SCHEMBL3586173

CC(=O)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.71
KCNH2 Q12809 1/20 0.71
MAPT P10636 4/20 0.61
ALDH1A1 P00352 4/20 0.61
GAA P10253 1/20 0.61
KDM4E B2RXH2 2/20 0.60
POLB P06746 1/20 0.60
DRD3 P35462 1/20 0.57
HIF1A Q16665 1/20 0.57
HRH1 P35367 1/20 0.55
HRH4 Q9H3N8 1/20 0.55
MAOB P27338 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
USP2 O75604 1/20 0.55

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
SCHEMBL21659403 0.99 HRH3 (0.68) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL6472573 0.89 HRH3 (0.72) HRH3KCNH2MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL3581152 0.86 HRH3 (0.69) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL3585244 0.85 HRH3 (0.71) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL3579866 0.85 HRH3 (0.63) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL13438043 0.85 HRH3 (0.63) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL3586381 0.84 HRH3 (0.66) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL3585275 0.84 HRH3 (0.62) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL3581097 0.83 HRH3 (0.64) HRH3KCNH2MAPTALDH1A1GAA
SCHEMBL3580433 0.83 HRH3 (0.66) HRH3KCNH2MAPTALDH1A1GAA

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 1 patent. 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

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.