SCHEMBL1790091

SCHEMBL1790091

O=C(NCCc1ccc2c(c1)CCN(C1CCC1)CC2)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
HRH3 Q9Y5N1 5/20 0.50
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
EPHX2 P34913 1/20 0.45
DPP4 P27487 1/20 0.45
PREP P48147 1/20 0.45
FAP Q12884 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 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
SCHEMBL1788937 0.90 HRH3 (0.52) NPC1SMN1; SMN2HRH3TSHRHDAC2
SCHEMBL4767429 0.81 RAB9A (0.55) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1791072 0.80 LMNA (0.56) KMT2ASMN1; SMN2MAPTGAAHRH3
SCHEMBL1788748 0.80 SMN1; SMN2 (0.56) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1788918 0.78 LMNA (0.56) KMT2ASMN1; SMN2MAPTGAAHRH3
SCHEMBL1790516 0.78 LMNA (0.51) HRH3
SCHEMBL1787344 0.77 HRH3 (0.47) HRH3PREP
SCHEMBL1790056 0.77 HRH3 (0.55) KMT2AMEN1SMN1; SMN2MAPTHRH3
SCHEMBL1794007 0.76 HRH3 (0.45) HRH3
SCHEMBL12608480 0.76 HRH3 (0.55) NPC1MAPTHRH3ALDH1A1

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 5 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
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 KMT2A 731/4885MEN1 2515/4885NPC1 1764/4885

“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.