SCHEMBL1787761

SCHEMBL1787761

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.52
HRH3 Q9Y5N1 6/20 0.50
CXCR3 P49682 1/20 0.47
NAMPT P43490 3/20 0.47
PRMT5 O14744 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.46
HPGDS O60760 1/20 0.45
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 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
SCHEMBL1791917 0.93 HRH3 (0.53) HRH3CXCR3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1789392 0.88 ALDH1A1 (0.49) ADRA1AHRH3CXCR3NAMPTALDH1A1
SCHEMBL2271409 0.88 HRH3 (0.50) ADRA1AHRH3CXCR3ALDH1A1SMN1; SMN2
SCHEMBL1792073 0.88 HRH3 (0.50) HRH3CXCR3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1787839 0.87 HRH3 (0.49) ADRA1AHRH3CXCR3ALDH1A1SMN1; SMN2
SCHEMBL1787838 0.87 HRH3 (0.49) ADRA1AHRH3CXCR3ALDH1A1SMN1; SMN2
SCHEMBL1788393 0.87 HRH3 (0.49) ADRA1AHRH3CXCR3ALDH1A1SMN1; SMN2
SCHEMBL6860616 0.85 HRH3 (0.49) ADRA1AHRH3CXCR3ALDH1A1SMN1; SMN2
SCHEMBL1789874 0.85 PRKAB2 (0.59) HRH3NAMPTMAPK1PRKAB2PRKAG1
SCHEMBL1792027 0.85 KLKB1 (0.49) HRH3CXCR3ALDH1A1SMN1; SMN2KDM4E

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 ADRA1A 212/4885HRH3 2/4885CXCR3 315/4885

“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.