SCHEMBL4193182

SCHEMBL4193182

O=S(=O)(Nc1cccc([C@@H]2CCN(Cc3ccccc3)C2)c1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
PKLR P30613 1/20 0.49
DRD4 P21917 2/20 0.47
CHRM4 P08173 6/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.45
MCHR1 Q99705 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 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
SCHEMBL4202249 0.86 DRD2 (0.53) DRD2PKLRCHRM4
SCHEMBL4195972 0.80 ALDH1A1 (0.48) PKLRDDB1CRBN
SCHEMBL1546903 0.78 HDAC3 (0.50) DRD2PKLRDRD4DDB1CRBN
SCHEMBL1546906 0.78 HDAC3 (0.50) DRD2PKLRDRD4DDB1CRBN
SCHEMBL1546246 0.78 DRD2 (0.52) DRD2DRD4DRD1DRD5DRD3
SCHEMBL4196434 0.78 BRAF (0.53) DRD2PKLRDDB1CRBNDRD3
Hydrochloric Acid SCHEMBL1752260 0.78 DRD2 (0.51) DRD2DRD4DRD1DRD5DRD3
SCHEMBL22608985 0.77 DRD2 (0.57) DRD2DRD4CHRM4OPRM1DRD3
SCHEMBL4196269 0.76 BRAF (0.50) DRD2PKLRDDB1CRBNDRD3
SCHEMBL4190426 0.76 BRAF (0.50) DRD2PKLRDDB1CRBNDRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A DRD2 116/4885PKLR 2312/4885DRD4 254/4885

“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.