SCHEMBL1787705

SCHEMBL1787705

CCNC(=O)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.61
KDM2B Q8NHM5 3/20 0.50
HRH1 P35367 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
CYP2D6 P10635 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
SCHEMBL2822496 0.90 HRH3 (0.56) HRH3KDM2BHRH1HDAC6
SCHEMBL5662791 0.90 HRH3 (0.59) HRH3KDM2BHRH1CYP2D6
SCHEMBL2820628 0.88 HRH3 (0.54) HRH3KDM2B
SCHEMBL1790897 0.86 HRH3 (0.76) HRH3KDM2BHRH1HDAC6CYP2D6
SCHEMBL1788776 0.85 HRH3 (0.54) HRH3KDM2BHDAC6
SCHEMBL1789796 0.85 HRH3 (0.54) HRH3KDM2BHDAC6
SCHEMBL1789719 0.84 HRH3 (0.53) HRH3KDM2BHDAC6
SCHEMBL12608452 0.84 MAPT (0.53) HRH3KDM2B
SCHEMBL1787754 0.84 HRH3 (0.69) HRH3KDM2BHRH1HDAC6CYP2D6
SCHEMBL1788806 0.83 HRH3 (0.54) HRH3KDM2BCYP2D6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 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 (3 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885KDM2B 1549/4885HRH1 4/4885
US-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 HRH3 16/4885KDM2B 2780/4885HRH1 4/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 HRH3 2/4885KDM2B 739/4885HRH1 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.