SCHEMBL3583503

SCHEMBL3583503

c1ccc2c(N3CCNCC3)ccc(OCCCN3CCCCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.52
HTR6 P50406 3/20 0.52
HTR2A P28223 2/20 0.52
HTR7 P34969 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACP1 P24666 1/20 0.46
HRH1 P35367 3/20 0.46
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6471490 0.81 ALDH1A1 (0.52) HRH3HTR6HTR2AHTR7TDP1
SCHEMBL3577690 0.78 KDM4E (0.61) HRH3HTR6HTR2AHTR7TDP1
SCHEMBL3583058 0.77 TLR9 (0.48) HRH3HTR6HTR2AHTR7TDP1
SCHEMBL13621742 0.77 MRE11 (0.49) HRH3HTR6HTR2AHTR7TDP1
SCHEMBL14559927 0.77 HTR1A (0.59) HTR6TDP1CYP2D6CYP2C19HRH1
SCHEMBL3576635 0.76 HRH3 (0.54) HRH3HTR2ACYP2D6HRH1
SCHEMBL3590220 0.74 HRH3 (0.60) HRH3HRH1KDM4EALDH1A1
SCHEMBL11827244 0.74 TDP1 (0.70) HRH3HTR6HTR2AHTR7TDP1
SCHEMBL3572835 0.74 HRH3 (0.61) HRH3HRH1
SCHEMBL14970546 0.73 HRH3 (0.89) HRH3HTR6HTR2AHTR7TDP1

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
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 1/4885HTR6 90/4885HTR2A 18/4885

“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.