SCHEMBL1787710

SCHEMBL1787710

O=C(NCC1CCNCC1)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.55
CYP2D6 P10635 1/20 0.55
SMYD3 Q9H7B4 3/20 0.54
KDM2B Q8NHM5 2/20 0.45
F10 P00742 1/20 0.45
NAMPT P43490 1/20 0.43
PARP1 P09874 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
BRD4 O60885 1/20 0.42

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 0.91 HRH3 (0.54) HRH3KDM2BF10HDAC6
SCHEMBL1789796 0.91 HRH3 (0.54) HRH3KDM2BF10NAMPTHDAC6
SCHEMBL1789719 0.90 HRH3 (0.53) HRH3KDM2BF10NAMPTHDAC6
SCHEMBL1790106 0.87 HRH3 (0.50) HRH3KDM2BF10NAMPT
SCHEMBL7949346 0.86 HRH3 (0.49) HRH3KDM2BF10NAMPTHDAC6
SCHEMBL1788539 0.85 HRH3 (0.51) HRH3KDM2BF10NAMPTHDAC6
SCHEMBL7945698 0.83 SMYD3 (0.55) SMYD3NAMPTPARP1BRD4
SCHEMBL1788058 0.83 HRH3 (0.47) HRH3CYP2D6SMYD3KDM2BHDAC6
SCHEMBL1789655 0.83 HRH3 (0.48) HRH3KDM2BF10
SCHEMBL1787578 0.83 NAMPT (0.51) HRH3KDM2BNAMPT

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 2/4885CYP2D6 359/4885SMYD3 386/4885

“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.