SCHEMBL1950099

SCHEMBL1950099

CC(C)(C)OC(=O)N1CCC[C@@H]2c3ccc(NS(C)(=O)=O)cc3C[C@@H]21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.58
PTPN1 P18031 5/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
HCRTR2 O43614 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1950100 1.00 HSD11B1 (0.58) HSD11B1PTPN1NPC1RAB9AMEN1
SCHEMBL1950098 1.00 HSD11B1 (0.58) HSD11B1PTPN1NPC1RAB9AMEN1
SCHEMBL1951112 0.85 HSD11B1 (0.57) HSD11B1NPC1RAB9AMEN1KMT2A
SCHEMBL1951111 0.85 HSD11B1 (0.57) HSD11B1NPC1RAB9AMEN1KMT2A
SCHEMBL1865291 0.85 HSD11B1 (0.57) HSD11B1NPC1RAB9AMEN1KMT2A
SCHEMBL1865290 0.85 HSD11B1 (0.57) HSD11B1NPC1RAB9AMEN1KMT2A
SCHEMBL2726371 0.82 HSD11B1 (0.53) HSD11B1NPC1NR1H2LMNANPSR1
SCHEMBL1949576 0.82 HSD11B1 (0.53) HSD11B1NPC1NR1H2LMNANPSR1
SCHEMBL1949574 0.82 HSD11B1 (0.53) HSD11B1NPC1NR1H2LMNANPSR1
SCHEMBL1949575 0.82 HSD11B1 (0.53) HSD11B1NPC1NR1H2LMNANPSR1

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-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-9663470-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US 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-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-22 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
US-9328072-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9328072-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-8497281-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2013-07-30 US disclosed
US-8497281-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2013-07-30 US disclosed
US-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012061708-A1 CRYSTALLINE FORMS OF HYDROCHLORIDE SALT OF (4A-R,9A-S) -1- (1H - BENZOIMIDAZOLE- 5 -CARBONYL) -2, 3, 4, 4A, 9, 9A - HEXAHYDRO -1H- INDENO [2, 1 -B] PYRIDINE- 6 -CARBONITRILE AND THEIR USE AS HSD 1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 WO disclosed
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE Boehringer Ingelheim International GmbH Vitae Pharmaceuticals 2011-06-09 US disclosed
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE Boehringer Ingelheim International GmbH Vitae Pharmaceuticals 2011-06-09 US 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

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-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 HSD11B1 3/4885PTPN1 1873/4885NPC1 243/4885
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 HSD11B1 3/4885PTPN1 1873/4885NPC1 243/4885
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 HSD11B1 3/4885PTPN1 1873/4885NPC1 243/4885

“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.