SCHEMBL3580433

SCHEMBL3580433

O=C(C1CCCCC1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.66
KCNH2 Q12809 2/20 0.64
MAOB P27338 1/20 0.59
HRH2 P25021 3/20 0.58
HRH1 P35367 3/20 0.58
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
POLB P06746 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
SCHEMBL21055964 0.91 HRH3 (0.61) HRH3KCNH2MAOBHRH2HRH1
Hydrochloric Acid SCHEMBL5935373 0.85 HRH3 (0.67) HRH3MAOBHRH2HRH1
Hydrochloric Acid SCHEMBL5935422 0.85 HRH3 (0.67) HRH3MAOBHRH2HRH1
SCHEMBL6472573 0.84 HRH3 (0.72) HRH3KCNH2HRH1MAPTALDH1A1
SCHEMBL14006628 0.84 HRH3 (0.92) HRH3KCNH2HRH1
SCHEMBL14006670 0.84 HRH3 (0.92) HRH3KCNH2HRH1
SCHEMBL3580437 0.84 HRH3 (0.68) HRH3
SCHEMBL3586173 0.83 HRH3 (0.71) HRH3KCNH2MAOBHRH1MAPT
Hydrochloric Acid SCHEMBL3581152 0.82 HRH3 (0.69) HRH3KCNH2HRH1MAPTALDH1A1
SCHEMBL3581520 0.82 HRH3 (0.62) HRH3KCNH2MAOBMAPTALDH1A1

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
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

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 352/4885MAOB 1078/4885

“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.