SCHEMBL1787362

SCHEMBL1787362

CCn1cc(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
ROCK2 O75116 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
SCHEMBL1787644 0.89 ALDH1A1 (0.53) TP53L3MBTL1KDM4ETSHRSMN1; SMN2
SCHEMBL1786630 0.84 TP53 (0.41) TP53L3MBTL1KDM4ESMN1; SMN2RAB9A
SCHEMBL1789071 0.83 NPC1 (0.41) TP53KDM4ESMN1; SMN2RAB9AALDH1A1
SCHEMBL1790452 0.82 ALDH1A1 (0.50) TP53TSHRALDH1A1POLBKMT2A
SCHEMBL1787359 0.81 TP53 (0.52) TP53L3MBTL1KDM4ETSHRRECQL
SCHEMBL1789970 0.81 ROCK2 (0.49) TP53SMN1; SMN2POLBKMT2ARXFP1
SCHEMBL1788120 0.80 HDAC6 (0.37) TP53TSHRSMN1; SMN2RAB9AALDH1A1
SCHEMBL1787706 0.80 HDAC6 (0.43) TP53SMN1; SMN2RAB9AKMT2AHTT
SCHEMBL1786312 0.79 RAB9A (0.42) KDM4ESMN1; SMN2RAB9AALDH1A1POLB
SCHEMBL1787618 0.79 ROCK2 (0.46) TP53RAB9AKMT2AMAPTROCK2

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 4800/4885L3MBTL1 1512/4885KDM4E 1983/4885

“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.