SCHEMBL4523812

SCHEMBL4523812

CC(C)C1N(C(=O)N2CCCN(C)CC2)C=C(C(=O)O)c2[nH]c3ccccc3c2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.42
NR1H4 Q96RI1 8/20 0.39
TLR9 Q9NR96 4/20 0.38
TLR8 Q9NR97 4/20 0.38
TLR7 Q9NYK1 4/20 0.38
CHRM3 P20309 1/20 0.37
GAA P10253 1/20 0.37
PARP1 P09874 1/20 0.36

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
SCHEMBL4523445 0.96 NR1H4 (0.41) HRH4NR1H4GAA
SCHEMBL4520698 0.93 NR1H4 (0.40) NR1H4
SCHEMBL4527486 0.92 NR1H4 (0.40) NR1H4
SCHEMBL4519590 0.89 NR1H4 (0.38) NR1H4TLR9TLR8TLR7
SCHEMBL4525379 0.87 NR1H4 (0.46) NR1H4PARP1
SCHEMBL4528374 0.87 NR1H4 (0.38) NR1H4TLR9TLR8TLR7
SCHEMBL4531385 0.87 CACNA2D1 (0.44) NR1H4
SCHEMBL4526606 0.86 NR1H4 (0.38) HRH4NR1H4
SCHEMBL4525870 0.86 NR1H4 (0.43) NR1H4CHRM3
SCHEMBL4523723 0.86 ALDH1A1 (0.42) NR1H4TLR9TLR8TLR7GAA

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 HRH4 409/4885NR1H4 1/4885TLR9 3605/4885

“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.