SCHEMBL3408919

SCHEMBL3408919

COc1ccc(CN2c3ccccc3CC(=O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.52
APAF1 O14727 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALDH2 P05091 1/20 0.48
ALDH3A1 P30838 1/20 0.48
SCN9A Q15858 1/20 0.46
NOD1 Q9Y239 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
MDH2 P40926 2/20 0.44
CHRM5 P08912 2/20 0.44

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
SCHEMBL8255367 0.91 CASP3 (0.52) CASP3MEN1KMT2AGAAAPAF1
SCHEMBL21310500 0.85 CHRM5 (0.44) CASP3MEN1KMT2AGAAAPAF1
SCHEMBL14938439 0.78 MEN1 (0.71) CASP3MEN1KMT2AGAAAPAF1
SCHEMBL3097335 0.78 MEN1 (0.56) CASP3MEN1KMT2AGAAAPAF1
SCHEMBL3088630 0.77 MEN1 (0.54) CASP3MEN1KMT2AGAAAPAF1
SCHEMBL21310656 0.76 TP53 (0.45) CASP3MEN1KMT2AGAAAPAF1
SCHEMBL1858845 0.76 CMA1 (0.47) CASP3MEN1KMT2AGAAAPAF1
SCHEMBL11623661 0.75 HDAC1 (0.62) CASP3MEN1KMT2AAPAF1HDAC1
SCHEMBL3851940 0.74 MEN1 (0.77) CASP3MEN1KMT2AGAAAPAF1
SCHEMBL29173729 0.74 HDAC1 (0.63) CASP3MEN1KMT2AGAAAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019163865-A1 DIBENZAZEPINE DERIVATIVE HAVING NITROGEN-CONTAINING HETEROCYCLIC RING 大日本住友製薬株式会社 2019-08-29 WO 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
US-7491715-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS, INC. (US) 2009-02-17 US 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
US-20060252744-A1 Use of N-desmethylclozapine and related compounds as dopamine stabilizing agents ACADIA PHARMACEUTICALS INC. 2006-11-09 US 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
US-20060194784-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders EK FREDRIK 2006-08-31 US 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

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-20100129473-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRM1 CASP3 3829/4885MEN1 3233/4885KMT2A 416/4885
US-20070197502-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRM1 CASP3 3859/4885MEN1 3177/4885KMT2A 408/4885
US-20060252744-A1 Use of N-desmethylclozapine and related compounds as dopamine stabilizing agents DRD3, DRD2, PNMT CASP3 3118/4885MEN1 4794/4885KMT2A 2217/4885
US-20060194784-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 CASP3 4063/4885MEN1 2879/4885KMT2A 839/4885
US-20090239840-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRNA10 CASP3 4063/4885MEN1 2879/4885KMT2A 839/4885
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 CASP3 4063/4885MEN1 2879/4885KMT2A 839/4885
US-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders OPRL1, CHRM4, CNR1 CASP3 4166/4885MEN1 3032/4885KMT2A 1185/4885

“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.