SCHEMBL4773893

SCHEMBL4773893

CN(C)S(=O)(=O)c1ccc2c(c1)CCN(CCCCl)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.53
HTR2B P41595 2/20 0.53
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 4/20 0.45
DRD2 P14416 2/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
ACHE P22303 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 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
SCHEMBL4792242 0.85 HRH3 (0.48) HRH3DRD2DRD3
SCHEMBL4790927 0.84 HRH3 (0.47) HTR2CHRH3DRD2HTR2AHRH1
SCHEMBL5098547 0.80 HTR2C (0.58) HTR2CHTR2BHRH3KDM4EALDH1A1
SCHEMBL4770231 0.77 HTR2C (0.60) HTR2CHTR2BKMT2AKDM4EALDH1A1
SCHEMBL4771909 0.75 HRH3 (0.55) HRH3DRD2HRH1DRD3
SCHEMBL16715429 0.73 HTR2C (0.55) HTR2CHTR2BKMT2ADRD2DRD4
SCHEMBL1958497 0.71 DRD2 (0.44) HTR2CHTR2BKMT2AHRH3DRD2
Hydrochloric Acid SCHEMBL1957323 0.71 HTR2C (0.61) HTR2CHTR2BKMT2ADRD2HTR1A
SCHEMBL2625803 0.71 HTR2C (0.51) HTR2CHTR2BKMT2AHRH3DRD2
SCHEMBL4773205 0.70 HTR2C (1.00) HTR2CHTR2BADRA2AADRA2BADRA2C

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 5 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
EP-1335915-A2 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2003-08-20 EP disclosed
WO-2002040471-A2 TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-23 WO 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 HTR2C 52/4885HTR2B 85/4885KMT2A 2384/4885

“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.