SCHEMBL3407535

SCHEMBL3407535

c1ccc(-c2ccc3c(c2)N=C(N2CCNCC2)c2ccccc2O3)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.64
DRD2 P14416 8/20 0.62
HTR1A P08908 5/20 0.62
HTR2A P28223 5/20 0.62
ADRA2A P08913 4/20 0.62
HTR7 P34969 4/20 0.62
HRH1 P35367 4/20 0.62
CHRM2 P08172 4/20 0.62
CHRM4 P08173 4/20 0.62
CHRM5 P08912 4/20 0.62
CHRM1 P11229 4/20 0.62
CHRM3 P20309 4/20 0.62
DRD1 P21728 4/20 0.62
KCNH2 Q12809 4/20 0.62
DRD4 P21917 3/20 0.62
HRH2 P25021 3/20 0.62
HTR5A P47898 3/20 0.62
HTR6 P50406 3/20 0.62
ADRA2B P18089 3/20 0.62
ADRA2C P18825 3/20 0.62

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
SCHEMBL29969899 0.84 DRD2 (0.74) HRH4DRD2HTR1AHTR2AADRA2A
SCHEMBL167601 0.84 DRD2 (0.74) HRH4DRD2HTR1AHTR2AADRA2A
SCHEMBL3409647 0.84 HRH4 (0.63) HRH4DRD2HTR1AHTR2AADRA2A
SCHEMBL3411417 0.84 DRD2 (0.63) HRH4DRD2HTR1AHTR2AADRA2A
SCHEMBL2738976 0.84 DRD4 (0.82) HRH4DRD2HTR1AHTR2AADRA2A
SCHEMBL3405535 0.84 DRD2 (0.63) HRH4DRD2HTR1AHTR2AADRA2A
SCHEMBL3405530 0.82 DRD2 (0.61) HRH4DRD2HTR1AHTR2AADRA2A
SCHEMBL3411370 0.78 CHRM1 (0.72) HRH4DRD2HTR1AHTR2AADRA2A
SCHEMBL3409689 0.78 DRD2 (0.80) HRH4DRD2HTR1AHTR2AADRA2A
SCHEMBL3411889 0.77 DRD2 (0.74) HRH4DRD2HTR1AHTR2AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
US-20060252744-A1 Use of N-desmethylclozapine and related compounds as dopamine stabilizing agents ACADIA PHARMACEUTICALS INC. 2006-11-09 US claimed
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 claimed
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-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-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-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-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
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-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
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
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 HRH4 311/4885DRD2 29/4885HTR1A 22/4885
US-20070197502-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRM1 HRH4 305/4885DRD2 29/4885HTR1A 22/4885
US-20060252744-A1 Use of N-desmethylclozapine and related compounds as dopamine stabilizing agents DRD3, DRD2, PNMT HRH4 576/4885DRD2 2/4885HTR1A 64/4885
US-20060194784-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 HRH4 426/4885DRD2 31/4885HTR1A 57/4885
US-20090239840-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRNA10 HRH4 426/4885DRD2 31/4885HTR1A 57/4885
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 HRH4 426/4885DRD2 31/4885HTR1A 57/4885
US-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders OPRL1, CHRM4, CNR1 HRH4 409/4885DRD2 26/4885HTR1A 37/4885

“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.