SCHEMBL4201243

SCHEMBL4201243

CCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(F)c(-c4cocn4)c3)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
DRD3 P35462 6/20 0.38
DRD2 P14416 6/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
KIT P10721 1/20 0.35
RORC P51449 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
GFER P55789 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL4201240 1.00 HRH3 (0.41) HRH3DRD3DRD2DRD1DRD4
SCHEMBL4206169 0.94 HRH3 (0.40) HRH3KITLMNASMN1; SMN2GFER
SCHEMBL4192775 0.83 HRH3 (0.41) HRH3DRD3DRD2DRD1DRD4
SCHEMBL4192778 0.83 HRH3 (0.41) HRH3DRD3DRD2DRD1DRD4
SCHEMBL5571594 0.83 HRH3 (0.56) HRH3DRD3DRD2DRD1DRD4
SCHEMBL5571596 0.83 HRH3 (0.56) HRH3DRD3DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL1546796 0.82 HRH3 (0.55) HRH3DRD3DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL1546792 0.82 HRH3 (0.55) HRH3DRD3DRD2DRD1DRD4
SCHEMBL4206331 0.81 TP53 (0.46) HRH3DRD3DRD2DRD1DRD4
SCHEMBL4206335 0.81 TP53 (0.46) HRH3DRD3DRD2DRD1DRD4

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 HRH3 129/4885DRD3 228/4885DRD2 116/4885

“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.