SCHEMBL4768628

SCHEMBL4768628

CCS(=O)(=O)c1ccc2c(c1)CCN(CCCSc1nnc(-c3cccc4nc(C)ccc34)n1C)CC2

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.69
KCNH2 Q12809 18/20 0.69
HRH1 P35367 8/20 0.69
DRD2 P14416 3/20 0.69
CHRM2 P08172 1/20 0.69
CHRM4 P08173 1/20 0.69
CHRM5 P08912 1/20 0.69
CHRM1 P11229 1/20 0.69
CHRM3 P20309 1/20 0.69
HTR1D P28221 1/20 0.69

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
SCHEMBL4773739 0.87 DRD3 (0.68) DRD3KCNH2HRH1DRD2CHRM2
SCHEMBL5111894 0.85 DRD3 (0.70) DRD3KCNH2HRH1DRD2CHRM2
SCHEMBL5111009 0.84 DRD3 (0.51) DRD3KCNH2HRH1DRD2CHRM2
SCHEMBL5104990 0.84 DRD3 (0.54) DRD3KCNH2HRH1DRD2CHRM2
SCHEMBL5112367 0.83 DRD3 (0.49) DRD3KCNH2HRH1DRD2CHRM2
SCHEMBL5105683 0.82 DRD3 (0.51) DRD3KCNH2HRH1DRD2CHRM2
SCHEMBL5104634 0.82 DRD3 (0.81) DRD3KCNH2HRH1DRD2CHRM2
SCHEMBL2287102 0.82 DRD3 (1.00) DRD3KCNH2HRH1DRD2CHRM2
SCHEMBL2316059 0.81 DRD3 (1.00) DRD3KCNH2HRH1
Hydrochloric Acid SCHEMBL2363828 0.81 DRD3 (0.98) DRD3KCNH2HRH1DRD2CHRM2

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 272/4885HRH1 718/4885

“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.