SCHEMBL1790097

SCHEMBL1790097

O=C(NCc1ccccc1Br)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
HRH3 Q9Y5N1 6/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
KDM2B Q8NHM5 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL1790326 0.88 RXFP1 (0.56) LMNATP53HRH3MAPTKMT2A
SCHEMBL1792133 0.85 DRD2 (0.46) HRH3MAPTDRD2DRD1DRD4
SCHEMBL1791513 0.85 EPHX2 (0.53) HRH3CYP2D6ALDH1A1
SCHEMBL1788806 0.85 HRH3 (0.54) LMNATP53HRH3MAPTKMT2A
SCHEMBL1789634 0.83 HRH3 (0.57) LMNAHRH3MAPTDRD3CYP2D6
SCHEMBL1788010 0.82 HRH3 (0.46) HRH3KDM2BCYP2D6RXFP1
SCHEMBL1790160 0.81 ROCK2 (0.49) TP53HRH3KMT2AALDH1A1
SCHEMBL1791545 0.81 HRH3 (0.48) HRH3MAPTKDM2BHDAC6RXFP1
SCHEMBL1790042 0.80 KDM4E (0.52) LMNAHRH3MAPTKMT2AALDH1A1
SCHEMBL1788440 0.80 ITGB3 (0.50) LMNATP53HRH3MAPTKDM2B

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 LMNA 2172/4885TP53 4800/4885HRH3 2/4885

“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.