SCHEMBL196937

SCHEMBL196937

CC(C)N1CCCN(C(=O)c2ccc(OC3CCOCC3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.62
KMT2A Q03164 3/20 0.56
CHRNA7 P36544 2/20 0.55
MEN1 O00255 1/20 0.51
GCK P35557 1/20 0.50

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
Hydrochloric Acid SCHEMBL1169646 0.99 HRH3 (0.61) HRH3KMT2ACHRNA7MEN1GCK
SCHEMBL121598 0.95 HRH3 (0.67) HRH3KMT2A
Hydrochloric Acid SCHEMBL1706094 0.94 HRH3 (0.66) HRH3KMT2A
SCHEMBL12385099 0.89 KMT2A (0.59) HRH3KMT2ACHRNA7MEN1GCK
SCHEMBL524345 0.85 HRH3 (0.59) HRH3CHRNA7
SCHEMBL1706335 0.81 HRH3 (0.56) HRH3KMT2ACHRNA7
SCHEMBL3711691 0.80 HRH3 (0.61) HRH3
SCHEMBL4619912 0.80 HRH3 (0.66) HRH3KMT2AMEN1
SCHEMBL523985 0.79 HRH3 (0.57) HRH3CHRNA7
Hydrochloric Acid SCHEMBL4134453 0.79 HRH3 (0.56) HRH3CHRNA7

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492375-B2 1-benzoyl substituted diazepine derivatives as selective histamine H3 receptor agonists GLAXO GROUP LIMITED (GB) 2013-07-23 US claimed
JP-2012500823-A 2012-01-12 JP claimed
JP-2012500192-A 2012-01-05 JP claimed
US-20110189280-A1 DOSAGE FORM COMPRISING 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE OR A SALT THEREOF GLAXO GROUP LIMITED (GB) 2011-08-04 US claimed
US-20110190274-A1 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE GLAXO GROUP LIMITED 2011-08-04 US claimed
EP-2328587-A1 DOSAGE FORM COMPRISING 1-ISOPROPYL-4-{ [4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE OR A SALT THEREOF Glaxo Group Limited (GB) 2011-06-08 EP claimed
EP-2326642-A2 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-{[4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE Glaxo Group Limited (GB) 2011-06-01 EP claimed
US-20110039833-A1 1-BENZOYL SUBSTITUTED DIAZEPINE DERIVATIVES AS SELECTIVE HISTAMINE H3 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-02-17 US claimed
US-7846922-B2 1-benzoyl substituted diazepine derivatives as selective histamine H3 receptor agonists GLAXO GROUP LIMITED (GB) 2010-12-07 US claimed
WO-2010023170-A1 Dosage form comprising 1-isopropyl-4-{[4-(tetrahydro-2H-pyran- 4-yloxy)phenyl]carbonyl}hexahydro-1H-1,4-diazepine or a salt thereof GLAXO GROUP LIMITED (GB) 2010-03-04 WO claimed
WO-2010018231-A2 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-{[4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE GLAXO GROUP LIMITED (GB) 2010-02-18 WO claimed
US-20080045505-A1 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists GLAXO GROUP LIMITED (GB) 2008-02-21 US claimed
US-8492375-B2 1-benzoyl substituted diazepine derivatives as selective histamine H3 receptor agonists GLAXO GROUP LIMITED (GB) 2013-07-23 US disclosed
US-8492375-B2 1-benzoyl substituted diazepine derivatives as selective histamine H3 receptor agonists GLAXO GROUP LIMITED (GB) 2013-07-23 US disclosed
US-8288389-B2 Piperazine derivative having affinity for the histamine H3 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288389-B2 Piperazine derivative having affinity for the histamine H3 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-02 US disclosed
WO-2009030716-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-03-12 WO disclosed
US-20080045505-A1 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
US-20080045505-A1 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists GLAXO GROUP LIMITED (GB) 2008-02-21 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 (5 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-20110039833-A1 1-BENZOYL SUBSTITUTED DIAZEPINE DERIVATIVES AS SELECTIVE HISTAMINE H3 RECEPTOR AGONISTS HRH3, HRH4, HRH1 HRH3 1/4885KMT2A 356/4885CHRNA7 34/4885
US-20090170869-A1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 HRH3 1/4885KMT2A 74/4885CHRNA7 50/4885
US-20110190274-A1 SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE GRIK4, GRIK1, IPO4 HRH3 72/4885KMT2A 1083/4885CHRNA7 141/4885
US-20110189280-A1 DOSAGE FORM COMPRISING 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE OR A SALT THEREOF HPD, ME1, SLC16A1 HRH3 133/4885KMT2A 1566/4885CHRNA7 259/4885
US-20080045505-A1 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists HRH3, HRH4, HRH1 HRH3 1/4885KMT2A 416/4885CHRNA7 14/4885

“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.