SCHEMBL5111671

SCHEMBL5111671

Cn1c(SCCCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)nnc1-c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.64
DRD2 P14416 13/20 0.64
KCNH2 Q12809 13/20 0.64
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.46
MIF P14174 1/20 0.45

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
SCHEMBL4839391 0.86 DRD3 (0.63) DRD3DRD2KCNH2
SCHEMBL4767819 0.85 DRD3 (0.64) DRD3DRD2KCNH2
SCHEMBL4836950 0.84 DRD3 (0.53) DRD3DRD2KCNH2
SCHEMBL4763624 0.83 DRD3 (0.51) DRD3DRD2KCNH2
SCHEMBL4769845 0.83 DRD3 (0.65) DRD3DRD2KCNH2
SCHEMBL4772428 0.83 DRD3 (0.59) DRD3DRD2KCNH2
SCHEMBL4769841 0.82 DRD3 (0.66) DRD3DRD2KCNH2
SCHEMBL4767832 0.82 DRD3 (0.68) DRD3DRD2KCNH2
SCHEMBL4773219 0.82 DRD3 (0.56) DRD3DRD2KCNH2
SCHEMBL4770366 0.81 DRD3 (0.57) DRD3DRD2KCNH2

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 2 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
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.