SCHEMBL1789861

SCHEMBL1789861

CN1CC(CNC(=O)c2ccc3c(c2)CCN(C2CCC2)CC3)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
KDM2B Q8NHM5 3/20 0.43
HRH1 P35367 1/20 0.40
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F10 P00742 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38

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
SCHEMBL1788776 0.84 HRH3 (0.54) HRH3KDM2BHDAC6F10
SCHEMBL1789796 0.84 HRH3 (0.54) HRH3KDM2BHPGDHDAC6F10
SCHEMBL1789719 0.83 HRH3 (0.53) HRH3KDM2BHPGDHDAC6F10
SCHEMBL1789863 0.82 SMYD3 (0.38) CYP2C9HPGDHDAC6SMYD3
SCHEMBL1788058 0.81 HRH3 (0.47) HRH3KDM2BHDAC6SMYD3
SCHEMBL1788539 0.81 HRH3 (0.51) HRH3KDM2BHDAC6F10
SCHEMBL1787710 0.81 HRH3 (0.55) HRH3KDM2BHDAC6F10SMYD3
SCHEMBL1790106 0.81 HRH3 (0.50) HRH3KDM2BF10
SCHEMBL1789735 0.80 HRH3 (0.48) HRH3KDM2BSMYD3
SCHEMBL1787705 0.80 HRH3 (0.61) HRH3KDM2BHRH1HDAC6

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 6 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
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

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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885KDM2B 1549/4885HRH1 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.