SCHEMBL1965284

SCHEMBL1965284

CC1(C)CN(C(=O)c2ccc(OCCCN3CCOCC3)cc2)C=C(C(=O)O)c2[nH]c3ccccc3c21

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.82
KCNH2 Q12809 1/20 0.82

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
SCHEMBL1968461 0.96 NR1H4 (0.82) NR1H4KCNH2
SCHEMBL15526701 0.93 NR1H4 (0.81) NR1H4KCNH2
SCHEMBL1967324 0.93 NR1H4 (0.81) NR1H4KCNH2
SCHEMBL4758760 0.92 NR1H4 (0.82) NR1H4KCNH2
SCHEMBL1966827 0.92 NR1H4 (0.82) NR1H4KCNH2
SCHEMBL15526642 0.90 NR1H4 (0.83) NR1H4KCNH2
SCHEMBL1243049 0.90 NR1H4 (1.00) NR1H4KCNH2
SCHEMBL1967103 0.88 NR1H4 (0.81) NR1H4KCNH2
SCHEMBL1964410 0.87 NR1H4 (0.80) NR1H4KCNH2
SCHEMBL4524430 0.86 NR1H4 (1.00) NR1H4KCNH2

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-2334681-A1 1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE NUCLEAR RECEPTOR INHIBITORS Wyeth LLC (US) 2011-06-22 EP claimed
WO-2010036362-A1 1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE NUCLEAR RECEPTOR INHIBITORS WYETH (US) 2010-04-01 WO claimed
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 3726/4885

“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.