SCHEMBL1787686

SCHEMBL1787686

Cn1ccc(CNC(=O)c2ccc3c(c2)CCN(C2=CC=C2)CC3)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.49
ROCK2 O75116 4/20 0.47
HPGDS O60760 1/20 0.42
HDAC6 Q9UBN7 3/20 0.37
KMT2A Q03164 2/20 0.36
PDE10A Q9Y233 1/20 0.35
ROCK1 Q13464 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL1789071 0.88 NPC1 (0.41) NAMPTROCK2HDAC6KMT2AROCK1
SCHEMBL1792607 0.85 ROCK2 (0.48) ROCK2KMT2AKDM4EALDH1A1LMNA
SCHEMBL1787084 0.83 HPGDS (0.43) NAMPTROCK2HPGDSHDAC6KMT2A
SCHEMBL1793233 0.83 CTNNB1 (0.38) ALDH1A1MAPTDRD2
SCHEMBL1787644 0.82 ALDH1A1 (0.53) KMT2AKDM4EMEN1ALDH1A1LMNA
SCHEMBL1789608 0.82 NAMPT (0.49) NAMPTROCK2HDAC6KMT2APDE10A
SCHEMBL1789905 0.82 ROCK2 (0.48) ROCK2KMT2AROCK1ALDH1A1LMNA
SCHEMBL1788400 0.82 HDAC6 (0.40) NAMPTROCK2HDAC6ROCK1KDM4E
SCHEMBL1787247 0.81 KMT2A (0.37) ROCK2HDAC6KMT2AROCK1MAPT
SCHEMBL1790046 0.81 KDM4E (0.52) NAMPTROCK2KMT2AKDM4EMEN1

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 NAMPT 4540/4885ROCK2 2377/4885HPGDS 1551/4885

“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.