SCHEMBL1789559

SCHEMBL1789559

O=C(NCc1ccc2[nH]ccc2c1)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ROCK2 O75116 4/20 0.42
EPHX2 P34913 3/20 0.42
PPARG P37231 2/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
DRD5 P21918 1/20 0.40
CHRNA7 P36544 1/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
MAPT P10636 2/20 0.38
MAPK14 Q16539 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL1789578 0.82 NR1H4 (0.48) EPHX2MAPTMAPK14
SCHEMBL1789555 0.81 CCR3 (0.49) PRMT5WDR77ROCK2EPHX2PPARG
SCHEMBL1789725 0.81 EPHX2 (0.48) EPHX2TP53LMNAHDAC1MAPT
SCHEMBL1787760 0.81 MAPT (0.50) TP53LMNAMAPT
SCHEMBL1788808 0.81 RAB9A (0.48) TP53LMNAHDAC2MAPTMAPK14
SCHEMBL1789977 0.80 CHRNA7 (0.53) ROCK2EPHX2PPARGCHRNA7TP53
SCHEMBL1786904 0.79 MAPT (0.44) ROCK2TP53LMNAMAPTMAPK14
SCHEMBL1792318 0.79 TP53 (0.44) PPARGTP53LMNAMAPK14
SCHEMBL1789792 0.79 LMNA (0.50) TP53LMNAMAPTMAPK14HDAC6
SCHEMBL1791894 0.79 ALDH1A1 (0.48) ROCK2LMNAMAPTMAPK14

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 PRMT5 1438/4885WDR77 1639/4885ROCK2 2377/4885

“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.