SCHEMBL1789812

SCHEMBL1789812

O=C(NCC1CCCO1)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 1/20 0.60
HPGD P15428 9/20 0.57
CYP2C9 P11712 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.52
NAMPT P43490 3/20 0.52

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
SCHEMBL1787154 0.89 HRH3 (0.47) KMT2AMEN1HPGDCYP2C9ALDH1A1
SCHEMBL1790106 0.84 HRH3 (0.50) NAMPT
SCHEMBL1791888 0.83 NAMPT (0.53) NAMPT
SCHEMBL1789796 0.83 HRH3 (0.54) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL1788776 0.83 HRH3 (0.54)
SCHEMBL1789813 0.82 KMT2A (0.57) KMT2AMEN1HPGDCYP2C9ALDH1A1
SCHEMBL1789719 0.82 HRH3 (0.53) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL1787578 0.82 NAMPT (0.51) NAMPT
SCHEMBL1787705 0.81 HRH3 (0.61)
SCHEMBL1787710 0.80 HRH3 (0.55) NAMPT

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 KMT2A 731/4885MEN1 2515/4885HPGD 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.