SCHEMBL1787963

SCHEMBL1787963

Cn1nc(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 1/20 0.39
ROCK2 O75116 8/20 0.37
ROCK1 Q13464 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPK14 Q16539 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 1/20 0.35
MAPT P10636 1/20 0.35
PHGDH O43175 1/20 0.35

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
SCHEMBL1787962 0.82 HRH3 (0.46) HSD17B13
SCHEMBL1788808 0.81 RAB9A (0.48) HDAC6LMNASMN1; SMN2MAPK14MAPT
SCHEMBL1787589 0.80 MAPT (0.47) HDAC6LMNAHTTKMT2AMAPT
SCHEMBL1788400 0.80 HDAC6 (0.40) ROCK2ROCK1HDAC6LMNATSHR
SCHEMBL1787247 0.79 KMT2A (0.37) ROCK2ROCK1HDAC6CYP3A4KMT2A
SCHEMBL1792607 0.79 ROCK2 (0.48) ROCK2LMNATSHRHTTSMN1; SMN2
SCHEMBL1791547 0.79 HDAC6 (0.39) ROCK2HDAC6CYP3A4MAPT
SCHEMBL1786312 0.79 RAB9A (0.42) ROCK2ROCK1HDAC6LMNAHTT
SCHEMBL1789970 0.79 ROCK2 (0.49) ROCK2HDAC6SMN1; SMN2KMT2AMAPT
SCHEMBL1787686 0.78 NAMPT (0.49) ROCK2ROCK1HDAC6LMNASMN1; SMN2

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 3 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
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 HSD17B13 471/4885ROCK2 2377/4885ROCK1 2757/4885

“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.