SCHEMBL1788936

SCHEMBL1788936

CCN1CCc2ccc(C(=O)NCc3ccccn3)cc2CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
NAMPT P43490 3/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PIK3CA P42336 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
ITGA2B P08514 1/20 0.49
MAPT P10636 2/20 0.49
GFER P55789 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL1790748 0.83 KDM4E (0.54) KDM4EKMT2AMEN1LMNANPC1
SCHEMBL1790046 0.82 KDM4E (0.52) KDM4EL3MBTL1NAMPTKMT2AMEN1
SCHEMBL1790042 0.82 KDM4E (0.52) KDM4EL3MBTL1NAMPTKMT2AMEN1
SCHEMBL1788721 0.81 GAA (0.51) NAMPTKMT2AMEN1LMNAPOLB
SCHEMBL1787833 0.80 LMNA (0.64) L3MBTL1NAMPTKMT2ALMNAPIK3CA
SCHEMBL1790538 0.79 GAA (0.53) KDM4EL3MBTL1LMNAHPGDMAPT
SCHEMBL1792135 0.77 MAPT (0.66) NAMPTHPGDALDH1A1MAPT
SCHEMBL12608451 0.77 TP53 (0.55) KDM4EL3MBTL1KMT2AMEN1LMNA
SCHEMBL1787178 0.77 EPHX2 (0.52) CYP3A4
SCHEMBL1788003 0.76 SMN1; SMN2 (0.53) L3MBTL1KMT2AMEN1RAB9AMAPT

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 KDM4E 1983/4885L3MBTL1 1512/4885NAMPT 4540/4885

“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.