SCHEMBL1789392

SCHEMBL1789392

O=C(NCc1ccc2c(c1)CCN(C1CCOC1)CC2)c1ccc(N2CCCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 5/20 0.49
RAB9A P51151 4/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CXCR3 P49682 1/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
ADRA1A P35348 1/20 0.43
NAMPT P43490 5/20 0.43
NPC1 O15118 3/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL1786875 0.90 KLKB1 (0.46) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1786878 0.90 KLKB1 (0.46) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1787879 0.90 KLKB1 (0.46) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1790222 0.90 NAMPT (0.43) CXCR3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1791917 0.89 HRH3 (0.53) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1787761 0.88 ADRA1A (0.52) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1790014 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1790641 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1786906 0.85 HRH3 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1789521 0.83 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1

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 ALDH1A1 1526/4885SMN1; SMN2 4393/4885HPGD 1107/4885

“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.