SCHEMBL1244153

SCHEMBL1244153

CC(C)C1N(C(=O)c2ccc(CN3CCOCC3)cc2)C=C(C(=O)O)c2[nH]c3ccccc3c2C1(C)C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.59
KCNH2 Q12809 1/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 3/20 0.42
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39

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
SCHEMBL4536393 0.89 NR1H4 (0.50) NR1H4KCNH2GAAMAPT
SCHEMBL4525459 0.88 NR1H4 (0.47) NR1H4KCNH2HRH3
SCHEMBL1243051 0.86 NR1H4 (0.63) NR1H4KCNH2HRH3
SCHEMBL4525870 0.84 NR1H4 (0.43) NR1H4KCNH2MAPTALDH1A1
SCHEMBL4533951 0.83 NR1H4 (0.42) NR1H4HRH3
SCHEMBL4525523 0.83 NR1H4 (0.64) NR1H4KCNH2
SCHEMBL4527308 0.82 NR1H4 (0.64) NR1H4KCNH2
SCHEMBL1969196 0.82 NR1H4 (0.79) NR1H4KCNH2
SCHEMBL4525379 0.81 NR1H4 (0.46) NR1H4KCNH2ALDH1A1
SCHEMBL4523021 0.80 PARP1 (0.44) NR1H4KCNH2MAPTALDH1A1

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-20110039824-A1 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate nuclear receptor inhibitors WYETH (US) 2011-02-17 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-20110039824-A1 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate nuclear receptor inhibitors NR1H4, NR1H2, NR1I3 NR1H4 1/4885KCNH2 4119/4885GAA 4329/4885

“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.