SCHEMBL1874397

SCHEMBL1874397

CC1(C)C(=O)Nc2ccc(C(=O)O)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.55
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
PDE3B Q13370 5/20 0.48
PDE3A Q14432 5/20 0.48
IP6K1 Q92551 2/20 0.47
IP6K3 Q96PC2 1/20 0.47
IP6K2 Q9UHH9 1/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
HSD11B1 P28845 1/20 0.44
MAPK14 Q16539 1/20 0.44
ATAD2 Q6PL18 1/20 0.44
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43

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
SCHEMBL3839942 0.86 MAPK14 (0.57) PGRPDK2PDK4CA12CA2
SCHEMBL29906734 0.86 MAPK14 (0.57) PGRPDK2PDK4CA12CA2
SCHEMBL7379550 0.82 PGR (0.51) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL29041890 0.82 PGR (0.51) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL31117105 0.82 PGR (0.51) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL30459975 0.82 PGR (0.51) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL7430226 0.81 PGR (0.50) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL5680486 0.81 PGR (0.50) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL7430045 0.81 PGR (0.50) PGRPDK2PDK4PDE3BPDE3A
Bicarbonate SCHEMBL10760298 0.81 PGR (0.47) PGRPDK2PDK4PDE3BPDE3A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP claimed
CN-1038640-A Two ring carboxamide, its preparation methods and contain the pharmaceutical composition of this material BOEHRINGER MANNHEIM GMBH (DE) 1990-01-10 CN claimed
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 EP claimed
CN-116457346-A Preparation of indolone derivatives as novel diacylglycerol O-acyltransferase 2 inhibitors 默沙东有限责任公司 2023-07-18 CN disclosed
EP-2496559-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS VITAE PHARMACEUTICALS INC (US) 2018-01-10 EP disclosed
US-9663470-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-22 US disclosed
US-9328072-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
CN-105037326-A Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS INC 2015-11-11 CN disclosed
US-9120769-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-01 US disclosed
CN-102666491-B Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS INC 2015-06-24 CN disclosed
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE Boehringer Ingelheim International GmbH Vitae Pharmaceuticals 2011-06-09 US disclosed
WO-2011057054-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE VITAE PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed
EP-0370381-B1 2(1H)-quinolinone compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-05-10 EP disclosed
US-5414088-A Anticoagluants BOEHRINGER MANNHEIM GMBH (DE) 1995-05-09 US disclosed
EP-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
US-5019587-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1991-05-28 US disclosed
US-4988698-A Cardiovascular disorders, hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 US disclosed
EP-0370381-A2 2(1H)-quinolinone compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-30 EP disclosed
CN-1038640-A Two ring carboxamide, its preparation methods and contain the pharmaceutical composition of this material BOEHRINGER MANNHEIM GMBH (DE) 1990-01-10 CN 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 (2 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-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 PGR 1236/4885PDK2 155/4885PDK4 145/4885
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 PGR 1236/4885PDK2 155/4885PDK4 145/4885

“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.