SCHEMBL3575356

SCHEMBL3575356

O=C(N1CCOCC1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.54
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
MAOB P27338 1/20 0.46
EPHX2 P34913 2/20 0.46
KCNH2 Q12809 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3586381 0.84 HRH3 (0.66) HRH3HRH2HRH1KCNH2ALDH1A1
SCHEMBL3576098 0.82 HRH3 (0.58) HRH3HRH2HRH1KCNH2KDM4E
SCHEMBL3587105 0.82 GPR119 (0.52) HRH3MAOBEPHX2KDM4EALDH1A1
Morpholine SCHEMBL6474550 0.79 HRH3 (0.58) HRH3HRH2HRH1KCNH2ALDH1A1
SCHEMBL9809336 0.78 HRH1 (0.66) HRH3HRH2HRH1EPHX2KCNH2
SCHEMBL3591614 0.77 HRH3 (0.59) HRH3HRH2HRH1KCNH2
SCHEMBL12454059 0.76 HRH3 (0.69) HRH3MAOBEPHX2
SCHEMBL4670410 0.75 HRH3 (0.73) HRH3KCNH2
SCHEMBL6476185 0.75 KDM4E (0.65) HRH3MAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL9809418 0.73 HRH3 (0.64) HRH3HRH2HRH1KCNH2ALDH1A1

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 1/4885HRH2 3/4885HRH1 4/4885

“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.