SCHEMBL1787944

SCHEMBL1787944

Cc1ccc(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)n1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 2/20 0.39
HDAC6 Q9UBN7 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TP53 P04637 1/20 0.35
OPRK1 P41145 2/20 0.35
ROCK2 O75116 1/20 0.35
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.35
RECQL P46063 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
SCHEMBL1787247 0.84 KMT2A (0.37) MAPTKMT2AHDAC6TP53OPRK1
SCHEMBL1788606 0.84 NAMPT (0.48) MAPTALDH1A1KMT2AHDAC6ROCK2
SCHEMBL1787647 0.83 KMT2A (0.47) KMT2AHDAC6TP53ROCK2
SCHEMBL1792607 0.82 ROCK2 (0.48) KDM4EALDH1A1ALOX15KMT2AROCK2
SCHEMBL1791556 0.82 ITK (0.44) KMT2AHDAC6ROCK2
SCHEMBL1787706 0.81 HDAC6 (0.43) KMT2AHDAC6TP53OPRK1
SCHEMBL1789725 0.80 EPHX2 (0.48) MAPTKDM4EALDH1A1KMT2AHDAC6
SCHEMBL1788808 0.80 RAB9A (0.48) MAPTKDM4EALDH1A1HDAC6ADORA2A
SCHEMBL1788120 0.80 HDAC6 (0.37) MAPTALDH1A1KMT2AHDAC6TP53
SCHEMBL1787941 0.80 HRH3 (0.50) MAPTKDM4EALDH1A1ALOX15HDAC6

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 MAPT 3598/4885KDM4E 1983/4885ALDH1A1 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.