SCHEMBL1243717

SCHEMBL1243717

CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCCN3CCOCC3)cc2)CC(C)(C)c2c1[nH]c1cc(F)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 1.00
KCNH2 Q12809 1/20 0.83

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
SCHEMBL1243632 0.97 NR1H4 (1.00) NR1H4KCNH2
SCHEMBL15526642 0.91 NR1H4 (0.83) NR1H4KCNH2
SCHEMBL1243049 0.91 NR1H4 (1.00) NR1H4KCNH2
SCHEMBL19880382 0.91 NR1H4 (0.84) NR1H4KCNH2
SCHEMBL23141163 0.90 NR1H4 (0.83) NR1H4KCNH2
SCHEMBL1242926 0.90 NR1H4 (1.00) NR1H4KCNH2
SCHEMBL19879496 0.90 NR1H4 (0.87) NR1H4KCNH2
SCHEMBL16917077 0.89 NR1H4 (0.80) NR1H4KCNH2
SCHEMBL23643747 0.89 NR1H4 (0.80) NR1H4KCNH2
SCHEMBL1242981 0.88 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 10 patents. 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 claimed
US-20230002394-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2023-01-05 US disclosed
US-20210214362-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2021-07-15 US disclosed
US-10421759-B2 Fused bicyclic compounds for the treatment of disease AKARNA THERAPEUTICS, LTD. (GB) 2019-09-24 US disclosed
US-20180118752-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. 2018-05-03 US disclosed
US-20180118752-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. 2018-05-03 US disclosed
WO-2016151403-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2016-09-29 WO disclosed
EP-2334681-A1 1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE NUCLEAR RECEPTOR INHIBITORS Wyeth LLC (US) 2011-06-22 EP disclosed
US-20110039824-A1 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate nuclear receptor inhibitors WYETH (US) 2011-02-17 US disclosed
WO-2010036362-A1 1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE NUCLEAR RECEPTOR INHIBITORS WYETH (US) 2010-04-01 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 (5 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-10421759-B2 Fused bicyclic compounds for the treatment of disease VHL, BRDT, PAICS NR1H4 59/4885KCNH2 4061/4885
US-20110039824-A1 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate nuclear receptor inhibitors NR1H4, NR1H2, NR1I3 NR1H4 1/4885KCNH2 4119/4885
US-20230002394-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS NR1H4 59/4885KCNH2 4061/4885
US-20210214362-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS NR1H4 59/4885KCNH2 4061/4885
US-20180118752-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS NR1H4 59/4885KCNH2 4061/4885

“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.