SCHEMBL1787713

SCHEMBL1787713

O=C(NCC1CCNCC1)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.53
NAMPT P43490 3/20 0.42
BRD4 O60885 1/20 0.41
KDM1A O60341 1/20 0.40
FLT3 P36888 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
KLKB1 P03952 1/20 0.40
PARP1 P09874 1/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
HTR4 Q13639 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
ITGA2 P17301 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL1789797 0.90 MEN1 (0.46) NAMPTHDAC6
SCHEMBL1789721 0.89 MEN1 (0.47) NAMPTHDAC6
SCHEMBL1790107 0.88 NAMPT (0.48) NAMPTBRD4ACSS2
SCHEMBL1788544 0.86 SMYD3 (0.42) SMYD3NAMPTF2PRSS1PRSS2
SCHEMBL1788777 0.85 HRH3 (0.46) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL1787579 0.84 NAMPT (0.49) NAMPT
SCHEMBL1788059 0.83 SMYD3 (0.40) SMYD3HDAC6
SCHEMBL1791890 0.82 NAMPT (0.51) NAMPT
SCHEMBL7945698 0.82 SMYD3 (0.55) SMYD3NAMPTBRD4ACSS2KLKB1
SCHEMBL1791689 0.82 SMYD3 (0.37) SMYD3HDAC6

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 3 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
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 SMYD3 386/4885NAMPT 4540/4885BRD4 181/4885

“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.