SCHEMBL1789911

SCHEMBL1789911

Cc1nc(C(=O)NCc2ccc3c(c2)CCN(C2=CC=C2)CC3)co1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.38
IDO1 P14902 1/20 0.37
LMNA P02545 5/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK14 Q16539 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
RAB9A P51151 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
THRB P10828 2/20 0.34
ITGAV P06756 1/20 0.34
ROCK2 O75116 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
SCHEMBL1792348 0.86 CYP1A2 (0.51) TP53LMNACYP1A2CYP2D6CYP2C19
SCHEMBL1789744 0.83 TP53 (0.38) TP53IDO1LMNAMAPK14RAB9A
SCHEMBL1789908 0.81 HRH3 (0.49) TP53CYP2D6
SCHEMBL1788168 0.81 ACACB (0.38) TP53IDO1LMNAMAPK14
SCHEMBL1790155 0.80 POLB (0.45) TP53IDO1LMNAMAPK14RAB9A
SCHEMBL1788052 0.79 TP53 (0.44) TP53LMNAMAPK14RAB9ATHRB
SCHEMBL1789742 0.79 HPGD (0.51) MAPK14RAB9A
SCHEMBL1788207 0.79 ROCK2 (0.43) TP53LMNAROCK2
SCHEMBL1789862 0.78 SMN1; SMN2 (0.50) TP53CYP1A2CYP2C19RAB9A
SCHEMBL1788017 0.78 LMNA (0.55) TP53IDO1LMNAMAPK14RAB9A

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 4800/4885IDO1 252/4885LMNA 2172/4885

“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.