SCHEMBL4535874

SCHEMBL4535874

CC(C)C1N(C(=O)c2ccc(OCCCN(C)C)cc2)C=C(C(=O)O)c2[nH]c3ccccc3c2C1(C)C

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.59
KCNH2 Q12809 1/20 0.44
CACNA1B Q00975 3/20 0.42
CACNA1H O95180 1/20 0.42
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL4530846 0.92 NR1H4 (0.60) NR1H4
SCHEMBL4526500 0.86 NR1H4 (0.45) NR1H4
SCHEMBL4524838 0.85 NR1H4 (0.62) NR1H4KCNH2
SCHEMBL4533951 0.85 NR1H4 (0.42) NR1H4
SCHEMBL1243051 0.85 NR1H4 (0.63) NR1H4KCNH2CACNA1BCACNA1H
SCHEMBL4565180 0.85 NR1H4 (0.44) NR1H4
SCHEMBL4523300 0.84 NR1H4 (0.52) NR1H4
SCHEMBL4513774 0.80 NR1H4 (0.42) NR1H4BCHE
SCHEMBL4529528 0.79 NR1H4 (0.43) NR1H4KCNH2
SCHEMBL4534394 0.79 NR1H4 (0.45) NR1H4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US 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-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 NR1H4 1/4885KCNH2 3726/4885CACNA1B 3958/4885

“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.