SCHEMBL585092

SCHEMBL585092

CC(C)(C)OC(=O)C12CNCC(CNC1)C2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.31

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
SCHEMBL31172812 0.82
SCHEMBL30798137 0.79 CYP17A1 (0.46) CYP17A1CYP19A1MEN1MAPK1KMT2A
SCHEMBL5080907 0.76 CYP17A1 (0.41) CYP17A1CYP19A1MEN1MAPK1KMT2A
SCHEMBL131064 0.76 CYP17A1 (0.55) CYP17A1CYP19A1MEN1MAPK1KMT2A
SCHEMBL31172934 0.73
SCHEMBL136663 0.73 NPSR1 (0.49) CYP17A1CYP19A1MEN1MAPK1KMT2A
SCHEMBL216423 0.73 ALDH1A1 (0.43) CYP17A1CYP19A1MEN1MAPK1KMT2A
SCHEMBL14249653 0.71
SCHEMBL34474146 0.71 DGAT1 (0.32) MEN1MAPK1KMT2A
SCHEMBL5451788 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580434-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes ATTENUA, INC. (US) 2017-02-28 US disclosed
US-20160039833-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CATALYST BIOSCIENCES, INC. 2016-02-11 US disclosed
US-20150080576-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT INC (US) 2015-03-19 US disclosed
US-8921410-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2014-12-30 US disclosed
US-8859609-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2014-10-14 US disclosed
US-20130005789-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes TARGACEPT, INC. (US) 2013-01-03 US disclosed
US-20120289572-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes TARGACEPT, INC. (US) 2012-11-15 US disclosed
US-8268860-B2 Sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2012-09-18 US disclosed
EP-2284171-B1 Amides of diazabicycloalkanes selective for nicotinic acetylcholine receptor sub-types TARGACEPT INC (US) 2012-02-15 EP disclosed
US-8114889-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2012-02-14 US disclosed
EP-2094703-B1 NICOTINIC ACETYLCHOLINE RECEPTORSUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT INC (US) 2011-05-11 EP disclosed
US-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2011-03-24 US disclosed
EP-2284171-A1 Amides of diazabicycloalkanes selective for nicotinic acetylcholine receptor sub-types Targacept, Inc. (US) 2011-02-16 EP disclosed
EP-2257549-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES Targacept Inc. (US) 2010-12-08 EP disclosed
US-20100173932-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2010-07-08 US disclosed
US-20100081683-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGCEPT INC. (US) 2010-04-01 US disclosed
WO-2009111550-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES TARGACEPT, INC. (US) 2009-09-11 WO disclosed
EP-2094703-A1 NICOTINIC ACETYLCHOLINE RECEPTORSUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES Targacept, Inc. (US) 2009-09-02 EP disclosed
WO-2008057938-A1 NICOTINIC ACETYLCHOLINE RECEPTORSUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2008-05-15 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 (7 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-20120289572-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes CHRNA2, CHRNE, CHRNA7 CYP17A1 3635/4885CYP19A1 2270/4885MEN1 4492/4885
US-20130005789-A1 Nicotinic Acetylcholine Receptor Sub-Type Selective Amides of Diazabicycloalkanes CHRNA2, CHRNE, CHRNA7 CYP17A1 3635/4885CYP19A1 2270/4885MEN1 4492/4885
US-20150080576-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA4, CHRNA2, CHRNE CYP17A1 3786/4885CYP19A1 2445/4885MEN1 4644/4885
US-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA7, CHRNA2, CHRNA5 CYP17A1 2172/4885CYP19A1 1345/4885MEN1 3632/4885
US-20100081683-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA7, CHRNE, CHRNA2 CYP17A1 3345/4885CYP19A1 1845/4885MEN1 3979/4885
US-20100173932-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA4, CHRNA2, CHRNE CYP17A1 3786/4885CYP19A1 2445/4885MEN1 4644/4885
US-20160039833-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA2, CHRNE, CHRNA7 CYP17A1 3635/4885CYP19A1 2270/4885MEN1 4492/4885

“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.