SCHEMBL3413490

SCHEMBL3413490

CC(C)(C)OC(=O)NN1CCC[C@H]1CN

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
EPHX1 P07099 2/20 0.38
CTSK P43235 3/20 0.37
BTK Q06187 1/20 0.36
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
HTT P42858 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
SCHEMBL3411407 1.00 CA1 (0.39) CA1CA2EPHX1CTSKBTK
SCHEMBL3411401 1.00 CA1 (0.39) CA1CA2EPHX1CTSKBTK
SCHEMBL29689842 0.81 CTSK (0.41) CA1CA2EPHX1CTSKBTK
SCHEMBL9128673 0.79 CA1 (0.39) CA1CA2EPHX1CTSKBTK
SCHEMBL22887890 0.79 CA1 (0.39) CA1CA2EPHX1CTSKBTK
SCHEMBL1907844 0.77 HSD17B10 (0.44) CA1CA2EPHX1CTSKBTK
SCHEMBL30388232 0.77 HSD17B10 (0.44) CA1CA2EPHX1CTSKBTK
SCHEMBL1903239 0.76 KLK5 (0.42) CA1CA2EPHX1CTSKBTK
SCHEMBL5653120 0.75 CA1 (0.40) CA1CA2EPHX1CTSKBTK
SCHEMBL4524535 0.75 CA1 (0.40) CA1CA2EPHX1CTSKBTK

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
CN-1913900-B Amino-substituted diaryl [ a, d ] cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric diseases ACADIA PHARM INC 2010-11-24 CN disclosed
US-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7622461-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. (US) 2009-11-24 US disclosed
US-20090239840-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
EP-2088147-A1 Dibenzo-condensed azepine, diazepine, oxazepine and thiazepine derivatives as muscarinic agonists and methods of treatment of neuropsychiatric disorders Arcadia Pharmaceuticals Inc. (US) 2009-08-12 EP disclosed
US-7550454-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7517871-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
EP-1696931-B1 AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARM INC (US) 2009-03-25 EP disclosed
WO-2008021463-A2 AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
EP-1865962-A2 USE OF N-DESMETHYLCLOZAPINE AND RELATED COMPOUNDS AS DOPAMINE STABILIZING AGENTS Arcadia Pharmaceuticals Inc. (US) 2007-12-19 EP disclosed
US-20070197502-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS EK FREDRIK 2007-08-23 US disclosed
WO-2006107948-A9 USE OF N-DESMETHYLCLOZAPINE AND RELATED COMPOUNDS AS DOPAMINE STABILIZING AGENTS ACADIA PHARM INC (US) 2007-02-22 WO disclosed
CN-1913900-A Amino-substituted diaryl [ a, d ] cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric diseases ACADIA PHARM INC (US) 2007-02-14 CN disclosed
US-20060252744-A1 Use of N-desmethylclozapine and related compounds as dopamine stabilizing agents ACADIA PHARMACEUTICALS INC. 2006-11-09 US disclosed
WO-2006107948-A2 USE OF N-DESMETHYLCLOZAPINE AND RELATED COMPOUNDS AS DOPAMINE STABILIZING AGENTS ACADIA PHARMACEUTICALS INC. (US) 2006-10-12 WO disclosed
US-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders EK FREDRIK 2006-09-07 US disclosed
EP-1696931-A2 AMINO SUBSTITUTED DIARYL [A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS Acadia Pharmaceuticals Inc. (US) 2006-09-06 EP disclosed
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS INC. 2005-09-01 US disclosed
WO-2005063254-A2 AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS ACADIA PHARMACEUTICALS INC. (US) 2005-07-14 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 (6 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-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRM1 CA1 1353/4885CA2 3927/4885EPHX1 1072/4885
US-20070197502-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRM1 CA1 1316/4885CA2 3899/4885EPHX1 1065/4885
US-20060252744-A1 Use of N-desmethylclozapine and related compounds as dopamine stabilizing agents DRD3, DRD2, PNMT CA1 4778/4885CA2 4725/4885EPHX1 4128/4885
US-20090239840-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRNA10 CA1 1189/4885CA2 3370/4885EPHX1 1150/4885
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 CA1 1189/4885CA2 3370/4885EPHX1 1150/4885
US-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders OPRL1, CHRM4, CNR1 CA1 1289/4885CA2 3486/4885EPHX1 1037/4885

“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.