SCHEMBL3579223

SCHEMBL3579223

O=C(c1cccc2ccccc12)N1CCN(c2ccc(OCCCCl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 2/20 0.55
HIF1A Q16665 1/20 0.55
USP2 O75604 3/20 0.53
MAPT P10636 3/20 0.50
GCGR P47871 2/20 0.50
LMNA P02545 2/20 0.50
DRD3 P35462 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL7804694 0.89 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL7804346 0.89 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL7817501 0.86 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL13437978 0.86 GCGR (0.67) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6472173 0.86 GCGR (0.67) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13437969 0.86 GCGR (0.67) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13437970 0.86 GCGR (0.67) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13437971 0.84 HRH3 (0.57) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL29748590 0.83 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL29748738 0.83 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AKDM4EHIF1A

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 8 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-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US disclosed
CN-100400523-C Substituted piperazines, (1,4) diaza * class and 2, 5-diazabicyclo (2.2.1) heptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LTD (GB) 2008-07-09 CN disclosed
CN-101070309-A Substituted piperazines as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists, (1, 4) diazabi and 2, 5-diazabicyclo (2.2.1) heptanes GLAXO GROUP LTD (GB) 2007-11-14 CN disclosed
US-20060025404-A1 Substituted piperazines,(1,4) diaszepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine h1 and/or h3 antagonists or histamine h3 reverse antagonists GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
CN-1726201-A Substituted piperazines, (1,4) diaza * class and 2, 5-diazabicyclo (2.2.1) heptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LTD (GB) 2006-01-25 CN 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 (2 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-20060025404-A1 Substituted piperazines,(1,4) diaszepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine h1 and/or h3 antagonists or histamine h3 reverse antagonists HRH3, HRH4, HRH2 ALDH1A1 2614/4885MEN1 2423/4885KMT2A 222/4885
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 ALDH1A1 1903/4885MEN1 1222/4885KMT2A 209/4885

“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.