SCHEMBL1789819

SCHEMBL1789819

O=C(NCc1nc2ccccc2s1)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 1/20 0.45
BCHE P06276 1/20 0.43
HDAC6 Q9UBN7 2/20 0.40
HDAC11 Q96DB2 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PPARG P37231 1/20 0.39
RAB9A P51151 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
LRRK2 Q5S007 1/20 0.39
KLKB1 P03952 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
SCHEMBL1789818 0.81 ROCK2 (0.51) ROCK2ROCK1BCHEPRMT5WDR77
SCHEMBL1787589 0.81 MAPT (0.47) HDAC6PRMT5WDR77MAPTHTT
SCHEMBL1788808 0.80 RAB9A (0.48) HDAC6MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL1790046 0.80 KDM4E (0.52) ROCK2MAPTHTTKDM4ERAB9A
SCHEMBL1789087 0.80 TSHR (0.53) ROCK2HDAC6HDAC11MAPTSMN1; SMN2
SCHEMBL1790534 0.79 ROCK2 (0.46) ROCK2MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL1790098 0.77 MAPT (0.48) HDAC6PRMT5WDR77MAPTALDH1A1
SCHEMBL1791729 0.77 HPGD (0.52) ROCK2MAPTSMN1; SMN2HPGDHTT
SCHEMBL1790327 0.77 GAA (0.48) ROCK2MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1791894 0.76 ALDH1A1 (0.48) ROCK2ROCK1MAPTSMN1; SMN2HTT

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 ROCK2 2377/4885ROCK1 2757/4885BCHE 153/4885

“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.