SCHEMBL4772007

SCHEMBL4772007

CCS(=O)(=O)c1ccc2c(c1)CCN(CCCSc1nnc(-c3ccc4ncccc4c3)n1C)CC2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 0.56
DRD2 P14416 13/20 0.56
KCNH2 Q12809 17/20 0.54
KDM4E B2RXH2 1/20 0.51
HRH1 P35367 1/20 0.49

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
SCHEMBL5102335 0.98 DRD3 (0.53) DRD3DRD2KCNH2KDM4EHRH1
SCHEMBL5105625 0.94 DRD3 (0.53) DRD3DRD2KCNH2HRH1
SCHEMBL4768279 0.94 DRD3 (0.56) DRD3DRD2KCNH2KDM4EHRH1
SCHEMBL4768552 0.92 DRD3 (0.54) DRD3DRD2KCNH2KDM4EHRH1
SCHEMBL5111635 0.92 DRD3 (0.54) DRD3DRD2KCNH2KDM4EHRH1
SCHEMBL4790889 0.91 DRD3 (0.53) DRD3DRD2KCNH2KDM4EHRH1
SCHEMBL5105356 0.90 DRD3 (0.52) DRD3DRD2KCNH2KDM4EHRH1
SCHEMBL5105786 0.90 DRD3 (0.52) DRD3DRD2KCNH2KDM4EHRH1
SCHEMBL4763567 0.89 DRD3 (0.53) DRD3DRD2KCNH2
SCHEMBL5111894 0.89 DRD3 (0.70) 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.