SCHEMBL791909

SCHEMBL791909

COC(=O)N1CC[C@H](OC)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
PDE4B Q07343 3/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TSHR P16473 1/20 0.41
VNN1 O95497 2/20 0.40
EPHX1 P07099 1/20 0.39
PRMT5 O14744 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 2/20 0.37
BRDT Q58F21 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 1/20 0.35

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
SCHEMBL19686581 1.00 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL26793108 1.00 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL791935 0.89 PDE4B (0.43) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL12321755 0.88 EPHX1 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL21879960 0.85 NPC1 (0.37) CHRNB2CHRNA4PDE4BPDE4APDE4C
SCHEMBL12791400 0.85 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL27920466 0.83 NPC1 (0.40) VNN1PRMT5NPC1RAB9AKMT2A
SCHEMBL24348077 0.83 GAA (0.53) PDE4BTSHRSMN1; SMN2
SCHEMBL19686899 0.83 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B
SCHEMBL21165830 0.82 VNN1 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 US disclosed
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 WO disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (3 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CHRNB2 4884/4885CHRNA4 4869/4885CHRNB4 4879/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CHRNB2 4884/4885CHRNA4 4869/4885CHRNB4 4879/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS CHRNB2 4074/4885CHRNA4 4694/4885CHRNB4 4372/4885

“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.