SCHEMBL4774162

SCHEMBL4774162

Cn1c(SCCCN2CCc3ccc(S(=O)(=O)N4CCOCC4)cc3CC2)nnc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.54
KCNH2 Q12809 15/20 0.54
DRD2 P14416 11/20 0.54
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
TSHR P16473 1/20 0.51
HRH1 P35367 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL4763714 0.93 KDM4E (0.59) DRD3KCNH2DRD2ALDH1A1KDM4E
SCHEMBL5101732 0.92 ALDH1A1 (0.58) DRD3KCNH2DRD2ALDH1A1KDM4E
SCHEMBL5099718 0.92 ALDH1A1 (0.58) DRD3KCNH2DRD2ALDH1A1KDM4E
SCHEMBL5102170 0.91 DRD3 (0.49) DRD3KCNH2DRD2ALDH1A1KDM4E
SCHEMBL4770291 0.87 DRD3 (0.57) DRD3KCNH2DRD2HRH1
SCHEMBL4380463 0.87 DRD3 (0.55) DRD3KCNH2DRD2ALDH1A1KDM4E
SCHEMBL5111801 0.87 DRD3 (0.56) DRD3KCNH2DRD2HRH1
SCHEMBL4764981 0.85 DRD3 (0.55) DRD3KCNH2DRD2HRH1
SCHEMBL4763567 0.85 DRD3 (0.53) DRD3KCNH2DRD2
SCHEMBL5112313 0.84 DRD3 (0.60) DRD3KCNH2DRD2HRH1

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 1/4885KCNH2 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.