SCHEMBL4792242

SCHEMBL4792242

CS(=O)(=O)c1ccc2c(c1)CCN(CCCCl)CC2

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
PNMT P11086 1/20 0.44
DRD3 P35462 9/20 0.44
DRD2 P14416 8/20 0.44

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
SCHEMBL4790927 0.88 HRH3 (0.47) HRH3DRD3DRD2
SCHEMBL4773893 0.85 HTR2C (0.53) HRH3DRD3DRD2
SCHEMBL5098547 0.83 HTR2C (0.58) HRH3
SCHEMBL4771909 0.81 HRH3 (0.55) HRH3DRD3DRD2
SCHEMBL10158484 0.80 PNMT (0.56) HRH3PNMTDRD3DRD2
SCHEMBL4770231 0.80 HTR2C (0.60) PNMT
SCHEMBL4564593 0.75 DRD3 (0.42) HRH3PNMTDRD3DRD2
SCHEMBL1958497 0.74 DRD2 (0.44) HRH3PNMTDRD3DRD2
SCHEMBL14297366 0.74 PNMT (0.53) PNMTDRD3DRD2
SCHEMBL4387090 0.73 HTR2C (0.55) PNMT

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 HRH3 312/4885PNMT 742/4885DRD3 1/4885

“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.