SCHEMBL4766034

SCHEMBL4766034

Cn1c(SCCCN2CCc3ccc(C#N)cc3CC2)nnc1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 19/20 0.70
DRD2 P14416 15/20 0.70
KCNH2 Q12809 13/20 0.70
HRH1 P35367 2/20 0.55
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD4 P21917 1/20 0.54
DRD5 P21918 1/20 0.54
HRH2 P25021 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR7 P34969 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL4389062 0.94 DRD3 (0.63) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL5098581 0.83 DRD3 (0.68) DRD3DRD2KCNH2
SCHEMBL5111123 0.82 DRD3 (1.00) DRD3DRD2KCNH2
SCHEMBL4766295 0.82 DRD3 (0.56) DRD3DRD2KCNH2HRH1
SCHEMBL4773639 0.82 DRD3 (0.65) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4389064 0.81 DRD3 (0.69) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL5104875 0.81 DRD3 (0.85) DRD3DRD2KCNH2
SCHEMBL4839391 0.80 DRD3 (0.63) DRD3DRD2KCNH2HRH1HTR1A
SCHEMBL4770114 0.80 DRD3 (0.75) DRD3DRD2KCNH2
SCHEMBL4390849 0.80 DRD3 (0.62) DRD3DRD2KCNH2HRH1HTR1A

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 3 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 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.