SCHEMBL4419372

SCHEMBL4419372

BrN1c2ccccc2N=C(N2CCNCC2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.57
HTR2A P28223 4/20 0.48
CHRM2 P08172 3/20 0.48
CHRM4 P08173 3/20 0.48
CHRM5 P08912 3/20 0.48
CHRM1 P11229 3/20 0.48
CHRM3 P20309 3/20 0.48
DRD1 P21728 3/20 0.48
KCNH2 Q12809 3/20 0.48
ADRA2A P08913 3/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
ADRA1D P25100 2/20 0.48
HTR2C P28335 2/20 0.48
ADRA1A P35348 2/20 0.48
HRH1 P35367 2/20 0.48
HTR2B P41595 2/20 0.48
ADRA1B P35368 1/20 0.48
HTR7 P34969 6/20 0.47
HTR1A P08908 3/20 0.47

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
SCHEMBL4411918 0.86 DRD2 (0.61) DRD2HTR2ACHRM2CHRM4CHRM5
SCHEMBL4431761 0.83 DRD2 (0.57) DRD2HTR2ACHRM2CHRM4CHRM5
SCHEMBL4431750 0.83 DRD2 (0.57) DRD2HTR2ACHRM2CHRM4CHRM5
SCHEMBL31266584 0.80 DRD2 (0.53) DRD2HTR2ACHRM2CHRM4CHRM5
SCHEMBL31266637 0.77 DRD2 (0.50) DRD2HTR2ACHRM2CHRM4CHRM5
SCHEMBL3410493 0.77 CHRM1 (0.74) DRD2HTR2ACHRM2CHRM4CHRM5
SCHEMBL3429019 0.75 CHRM1 (0.67) DRD2HTR2ACHRM2CHRM4CHRM5
SCHEMBL29969899 0.74 DRD2 (0.74) DRD2HTR2ACHRM2CHRM4CHRM5
SCHEMBL167601 0.74 DRD2 (0.74) DRD2HTR2ACHRM2CHRM4CHRM5
SCHEMBL141985 0.74 HRH4 (0.71) DRD2HTR2ACHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders OPRL1, CHRM4, CNR1 DRD2 26/4885HTR2A 46/4885CHRM2 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.