SCHEMBL4773705

SCHEMBL4773705

Cn1c(SCCCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)nnc1-c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.50
KCNH2 Q12809 18/20 0.50
DRD2 P14416 16/20 0.50
HRH1 P35367 2/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR1D P28221 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
SCHEMBL4768113 0.90 DRD3 (0.54) DRD3KCNH2DRD2HRH1
SCHEMBL4839391 0.88 DRD3 (0.63) DRD3KCNH2DRD2HRH1
SCHEMBL4769841 0.84 DRD3 (0.66) DRD3KCNH2DRD2
SCHEMBL4767819 0.83 DRD3 (0.64) DRD3KCNH2DRD2HRH1
SCHEMBL5111799 0.83 DRD3 (0.52) DRD3KCNH2DRD2HRH1CHRM2
SCHEMBL4772428 0.83 DRD3 (0.59) DRD3KCNH2DRD2HRH1
SCHEMBL4769845 0.83 DRD3 (0.65) DRD3KCNH2DRD2
SCHEMBL4836950 0.82 DRD3 (0.53) DRD3KCNH2DRD2HRH1CHRM2
SCHEMBL4770366 0.81 DRD3 (0.57) DRD3KCNH2DRD2HRH1
SCHEMBL4773455 0.81 DRD3 (0.67) DRD3KCNH2DRD2

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 1/4885KCNH2 272/4885DRD2 2/4885

“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.