SCHEMBL3429019

SCHEMBL3429019

c1ccc2c(c1)N=C(N1CCCNCC1)c1ccccc1N2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.67
DRD2 P14416 7/20 0.67
CHRM2 P08172 4/20 0.67
CHRM4 P08173 4/20 0.67
CHRM5 P08912 4/20 0.67
CHRM3 P20309 4/20 0.67
DRD1 P21728 4/20 0.67
KCNH2 Q12809 4/20 0.67
CYP1A2 P05177 3/20 0.67
CYP3A4 P08684 3/20 0.67
CYP2D6 P10635 3/20 0.67
MTOR P42345 2/20 0.67
DRD4 P21917 4/20 0.65
ADRA2A P08913 3/20 0.58
ADRA2B P18089 3/20 0.58
ADRA2C P18825 3/20 0.58
ADRA1D P25100 3/20 0.58
HTR2A P28223 3/20 0.58
HTR2C P28335 3/20 0.58
ADRA1A P35348 3/20 0.58

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
SCHEMBL3410493 0.94 CHRM1 (0.74) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL3429232 0.87 CHRM1 (0.68) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL3431059 0.87 DRD2 (0.91) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL3414277 0.83 DRD2 (0.78) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL9014103 0.81 CHRM1 (0.78) CHRM1DRD2CHRM2CHRM4CHRM5
N-Desmethylclozapine SCHEMBL781423 0.81 DRD2 (1.00) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL3411946 0.81 DRD2 (0.82) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL3408005 0.81 DRD2 (0.82) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL3414305 0.81 DRD2 (0.64) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL3411684 0.81 CHRM1 (0.74) CHRM1DRD2CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 CHRM1 3/4885DRD2 29/4885CHRM2 5/4885
US-20070197502-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRM1 CHRM1 3/4885DRD2 29/4885CHRM2 5/4885
US-20060252744-A1 Use of N-desmethylclozapine and related compounds as dopamine stabilizing agents DRD3, DRD2, PNMT CHRM1 17/4885DRD2 2/4885CHRM2 11/4885
US-20060194784-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 CHRM1 7/4885DRD2 31/4885CHRM2 6/4885
US-20090239840-A1 AMINO SUBSTITUTED DIARYL[a,d]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS CHRM4, CHRM5, CHRNA10 CHRM1 7/4885DRD2 31/4885CHRM2 6/4885
US-20050192268-A1 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders CHRM4, CHRM5, CHRNA10 CHRM1 7/4885DRD2 31/4885CHRM2 6/4885
US-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders OPRL1, CHRM4, CNR1 CHRM1 12/4885DRD2 26/4885CHRM2 8/4885

“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.