SCHEMBL1786904

SCHEMBL1786904

COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK14 Q16539 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1787455 0.91 MAPT (0.55) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL1789725 0.89 EPHX2 (0.48) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL1789578 0.88 NR1H4 (0.48) MAPTKMT2AMAPK14NR1H4
SCHEMBL1787760 0.87 MAPT (0.50) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL1788808 0.87 RAB9A (0.48) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL1789887 0.85 HDAC6 (0.43) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL1791894 0.85 ALDH1A1 (0.48) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL1790575 0.84 LSS (0.50) MAPK14ROCK2
SCHEMBL1787706 0.82 HDAC6 (0.43) KMT2ASMN1; SMN2NPC1RAB9ATP53
SCHEMBL1789905 0.82 ROCK2 (0.48) MAPTKMT2ASMN1; SMN2LMNANPC1

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 3598/4885CYP2C9 506/4885KMT2A 731/4885

“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.