SCHEMBL4190597

SCHEMBL4190597

CCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3cccc(N4CCCC4)c3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.49
DRD3 P35462 7/20 0.49
SIGMAR1 Q99720 2/20 0.47
GFER P55789 1/20 0.46
LMNA P02545 1/20 0.46
DRD1 P21728 3/20 0.43
DRD4 P21917 3/20 0.43
DRD5 P21918 3/20 0.43
TGFBR1 P36897 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL4190601 1.00 DRD2 (0.49) DRD2DRD3SIGMAR1GFERLMNA
SCHEMBL4192756 0.92 KMT2A (0.48) DRD2DRD3SIGMAR1LMNATGFBR1
SCHEMBL4192760 0.92 KMT2A (0.48) DRD2DRD3SIGMAR1LMNATGFBR1
SCHEMBL1546394 0.88 MAPT (0.56) DRD2DRD3GFERLMNADRD1
SCHEMBL1546398 0.88 MAPT (0.56) DRD2DRD3GFERLMNADRD1
SCHEMBL4189238 0.87 DRD2 (0.48) DRD2DRD3SIGMAR1DRD1DRD4
SCHEMBL4189243 0.87 DRD2 (0.48) DRD2DRD3SIGMAR1DRD1DRD4
Hydrochloric Acid SCHEMBL4196547 0.86 DRD2 (0.48) DRD2DRD3SIGMAR1DRD1DRD4
Hydrochloric Acid SCHEMBL4196556 0.86 DRD2 (0.48) DRD2DRD3SIGMAR1DRD1DRD4
SCHEMBL1546880 0.86 MAPT (0.53) DRD2DRD3GFERLMNADRD1

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 116/4885DRD3 228/4885SIGMAR1 136/4885

“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.