SCHEMBL4768552

SCHEMBL4768552

CN(C)S(=O)(=O)c1ccc2c(c1)CCN(CCCSc1nnc(-c3ccc4ncccc4c3)n1C)CC2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 0.54
DRD2 P14416 13/20 0.54
KCNH2 Q12809 18/20 0.52
HRH1 P35367 2/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR1D P28221 1/20 0.48
KDM4E B2RXH2 1/20 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
SCHEMBL4768279 0.92 DRD3 (0.56) DRD3DRD2KCNH2HRH1KDM4E
SCHEMBL4772007 0.92 DRD3 (0.56) DRD3DRD2KCNH2HRH1KDM4E
SCHEMBL5111635 0.89 DRD3 (0.54) DRD3DRD2KCNH2HRH1CHRM2
SCHEMBL5102335 0.89 DRD3 (0.53) DRD3DRD2KCNH2HRH1KDM4E
SCHEMBL4790889 0.89 DRD3 (0.53) DRD3DRD2KCNH2HRH1KDM4E
SCHEMBL5105356 0.88 DRD3 (0.52) DRD3DRD2KCNH2HRH1KDM4E
SCHEMBL5105786 0.88 DRD3 (0.52) DRD3DRD2KCNH2HRH1KDM4E
SCHEMBL4763567 0.87 DRD3 (0.53) DRD3DRD2KCNH2
SCHEMBL5098506 0.86 DRD3 (0.52) DRD3DRD2KCNH2HRH1
SCHEMBL5105625 0.86 DRD3 (0.53) DRD3DRD2KCNH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429579-B2 Tetrahydrobenzazepine derivatives useful as modulators of dopamine D3 receptors (antipsychotic agents) SMITHKLINE BEECHAM, PLC (GB) 2008-09-30 US claimed
US-7429579-B2 Tetrahydrobenzazepine derivatives useful as modulators of dopamine D3 receptors (antipsychotic agents) SMITHKLINE BEECHAM, PLC (GB) 2008-09-30 US disclosed
EP-1335915-B1 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2008-01-02 EP disclosed
US-20040171606-A1 Tetrahydrobenzazepine derivatives useful as modulators of dopamine d3 receptors (antipsychotic agents) SMITHKLINE BEECHAM PLC (GB) 2004-09-02 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-20040171606-A1 Tetrahydrobenzazepine derivatives useful as modulators of dopamine d3 receptors (antipsychotic agents) DRD3, DRD2, DRD1 DRD3 1/4885DRD2 2/4885KCNH2 272/4885

“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.