SCHEMBL1789744

SCHEMBL1789744

Cc1nc(C(=O)NCc2ccc3c(c2)CCN(C2=CC=C2)CC3)c(C)o1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
LMNA P02545 9/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.35
MAPK14 Q16539 1/20 0.35
CHRM4 P08173 1/20 0.35
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
ALPG P10696 1/20 0.34

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
SCHEMBL1789911 0.83 TP53 (0.38) TP53LMNAIDO1MAPK14RAB9A
SCHEMBL1787825 0.81 MAPT (0.39) TP53LMNAPOLB
SCHEMBL1789743 0.81 HRH3 (0.44) TP53
SCHEMBL1790155 0.80 POLB (0.45) TP53LMNAIDO1MAPK14RAB9A
SCHEMBL1792348 0.80 CYP1A2 (0.51) TP53LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL1788052 0.79 TP53 (0.44) TP53LMNAMAPK14RAB9APOLB
SCHEMBL1788207 0.79 ROCK2 (0.43) TP53LMNASMN1; SMN2CHRM4POLB
SCHEMBL1788168 0.79 ACACB (0.38) TP53LMNAIDO1MAPK14POLB
SCHEMBL1788017 0.78 LMNA (0.55) TP53LMNATSHRIDO1MAPK14
SCHEMBL1788446 0.78 ACE2 (0.53) TP53LMNAALDH1A1TSHRSMN1; SMN2

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 TP53 4800/4885LMNA 2172/4885ALDH1A1 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.