SCHEMBL5111801

SCHEMBL5111801

CCS(=O)(=O)c1ccc2c(c1)CCN(CCCSc1nnc(-c3ccc(F)cc3)n1C)CC2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.56
KCNH2 Q12809 18/20 0.56
DRD2 P14416 14/20 0.56
HRH1 P35367 1/20 0.51
HTR1A P08908 1/20 0.51

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
SCHEMBL4770291 0.92 DRD3 (0.57) DRD3KCNH2DRD2HRH1HTR1A
SCHEMBL4764981 0.90 DRD3 (0.55) DRD3KCNH2DRD2HRH1HTR1A
SCHEMBL5098397 0.90 DRD3 (0.51) DRD3KCNH2DRD2
SCHEMBL5098581 0.89 DRD3 (0.68) DRD3KCNH2DRD2
SCHEMBL5112313 0.89 DRD3 (0.60) DRD3KCNH2DRD2HRH1HTR1A
SCHEMBL4763714 0.89 KDM4E (0.59) DRD3KCNH2DRD2
SCHEMBL5101732 0.88 ALDH1A1 (0.58) DRD3KCNH2DRD2
SCHEMBL5099718 0.88 ALDH1A1 (0.58) DRD3KCNH2DRD2
SCHEMBL4774162 0.87 DRD3 (0.54) DRD3KCNH2DRD2HRH1
SCHEMBL5111894 0.85 DRD3 (0.70) 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 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 1/4885KCNH2 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.