SCHEMBL4202249

SCHEMBL4202249

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
CHRM4 P08173 1/20 0.53
LMNA P02545 2/20 0.52
UBE2M P61081 6/20 0.52
DCUN1D1 Q96GG9 6/20 0.52
SIGMAR1 Q99720 2/20 0.49
FAAH O00519 1/20 0.48
PKLR P30613 1/20 0.47
CCR2 P41597 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4193182 0.86 DRD2 (0.51) DRD2CHRM4PKLR
SCHEMBL6351172 0.82 CHRM4 (0.61) DRD2CHRM4UBE2MDCUN1D1SIGMAR1
Hydrochloric Acid SCHEMBL4202752 0.82 HSD17B2 (0.49) DRD2LMNANR3C1PGRAR
Hydrochloric Acid SCHEMBL4202759 0.82 HSD17B2 (0.49) DRD2LMNANR3C1PGRAR
SCHEMBL9667283 0.79 CHRM4 (0.69) DRD2CHRM4UBE2MDCUN1D1SIGMAR1
SCHEMBL22608985 0.79 DRD2 (0.57) DRD2CHRM4ALDH1A1
SCHEMBL1546115 0.77 DRD2 (0.55) DRD2LMNAUBE2MDCUN1D1SIGMAR1
SCHEMBL1546113 0.77 DRD2 (0.55) DRD2LMNAUBE2MDCUN1D1SIGMAR1
SCHEMBL4204724 0.76 TSHR (0.55) LMNAPKLRNR3C1PGRAR
SCHEMBL4193900 0.76 NR3C1 (0.47) LMNAPKLRNR3C1PGRAR

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 116/4885CHRM4 309/4885LMNA 4039/4885

“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.