SCHEMBL3579822

SCHEMBL3579822

O=C(c1ccccc1)N1CCN(c2ccc(OCCN3CCCCC3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.71
DRD3 P35462 3/20 0.67
LTA4H P09960 1/20 0.64
DRD2 P14416 4/20 0.64
HTR2A P28223 2/20 0.64
HRH3 Q9Y5N1 2/20 0.63
HRH1 P35367 1/20 0.63
KCNH2 Q12809 1/20 0.63
PSMB1 P20618 2/20 0.62
PSMB5 P28074 2/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
PSMB2 P49721 1/20 0.57
NPC1 O15118 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL3576860 0.93 DRD2 (0.70) KCNA5DRD3DRD2HTR2AHRH3
SCHEMBL13438263 0.91 HRH3 (0.67) KCNA5DRD3DRD2HTR2AHRH3
Hydrochloric Acid SCHEMBL5935361 0.89 HRH3 (0.67) DRD3DRD2HTR2AHRH3HRH1
SCHEMBL3581124 0.86 HRH3 (0.67) DRD2HTR2AHRH3HRH1KCNH2
SCHEMBL13437994 0.85 HRH3 (0.60) DRD2HTR2AHRH3HRH1KCNH2
SCHEMBL3576908 0.83 HRH3 (0.72) KCNA5DRD3DRD2HTR2AHRH3
SCHEMBL3584184 0.83 LMNA (0.63) KCNA5DRD3DRD2HTR2AMEN1
SCHEMBL7804413 0.83 MAPT (0.60) KCNA5DRD3DRD2HTR2AMEN1
SCHEMBL16150148 0.83 DRD2 (0.62) KCNA5DRD3DRD2HTR2AHRH1
SCHEMBL3582147 0.83 LMNA (0.59) KCNA5DRD3DRD2HTR2AMEN1

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 KCNA5 806/4885DRD3 226/4885LTA4H 215/4885

“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.