SCHEMBL1789773

SCHEMBL1789773

O=C(NCc1ccoc1)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
PARP1 P09874 1/20 0.40
MAPK14 Q16539 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL1788808 0.85 RAB9A (0.48) NAMPTALDH1A1MAPK14TP53HDAC6
SCHEMBL1789578 0.84 NR1H4 (0.48) ALDH1A1MAPK14KMT2AMAPT
SCHEMBL1787760 0.83 MAPT (0.50) HTTKMT2ANPSR1TP53LMNA
SCHEMBL1791894 0.83 ALDH1A1 (0.48) NAMPTROCK2ALDH1A1HTTMAPK14
SCHEMBL1789725 0.83 EPHX2 (0.48) ALDH1A1MAPK14KMT2ATP53HDAC6
SCHEMBL1790598 0.81 NAMPT (0.48) NAMPTROCK2PARP1MAPK14KMT2A
SCHEMBL1786904 0.81 MAPT (0.44) ROCK2MAPK14KMT2ATP53LMNA
SCHEMBL1790168 0.80 IDO1 (0.48) ROCK2HTTKMT2ALMNA
SCHEMBL1788120 0.80 HDAC6 (0.37) ALDH1A1USP2HTTKMT2ANPSR1
SCHEMBL1790575 0.80 LSS (0.50) NAMPTROCK2MAPK14HDAC6

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 NAMPT 4540/4885ROCK2 2377/4885ALDH1A1 1526/4885

“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.