SCHEMBL675058

SCHEMBL675058

O=C1c2ccccc2S(=O)(=O)N1C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 1/20 0.47
TSHR P16473 2/20 0.42
DRD3 P35462 5/20 0.41
DRD2 P14416 5/20 0.41
HTR1A P08908 4/20 0.41
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD1 P21728 2/20 0.41
TBXA2R P21731 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
BCL2 P10415 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 3/20 0.41

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
SCHEMBL6896499 0.73 TSHR (0.57) CA9CA12TSHRCA2CYP2D6
SCHEMBL6903492 0.72 TSHR (0.56) CA9CA12TSHRALDH1A1CA2
SCHEMBL29256304 0.69 CA9 (0.46) CA9CA12CA1TSHRDRD3
SCHEMBL2913362 0.69 NPC1 (0.46) TSHRDRD3HTR1ACHRM2ADRA2A
SCHEMBL8644379 0.68 DRD2 (0.47) CA9CA12CA1TSHRDRD3
SCHEMBL11305121 0.67 TSHR (0.54) CA9CA12TSHRCA2CYP2D6
SCHEMBL5369305 0.66 DRD3 (0.47) DRD3DRD2CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL11242959 0.66 TSHR (0.52) CA9CA12TSHRCA2CYP2D6
SCHEMBL4427275 0.66 G6PD (0.48) TSHRDRD3HTR1ACHRM2ADRA2A
SCHEMBL31455521 0.65 CA9 (0.51) CA9CA12CA2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058264-B2 Pharmaceutical compositions comprising CB1 cannabinoid receptor antagonists and potassium channel openers for the treatment of obesity and related conditions ABBOTT PRODUCTS GMBH (DE) 2011-11-15 US claimed
US-20060128673-A1 Pharmaceutical compositions comprising CB1 cannabinoid receptor antagonists and potassium channel openers for the treatment of obesity and related conditions ABBOTT PRODUCTS GMBH (DE) 2006-06-15 US claimed
US-8058264-B2 Pharmaceutical compositions comprising CB1 cannabinoid receptor antagonists and potassium channel openers for the treatment of obesity and related conditions ABBOTT PRODUCTS GMBH (DE) 2011-11-15 US disclosed
US-7763607-B2 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2010-07-27 US disclosed
US-20070254862-A1 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-01 US disclosed
US-20060128673-A1 Pharmaceutical compositions comprising CB1 cannabinoid receptor antagonists and potassium channel openers for the treatment of obesity and related conditions ABBOTT PRODUCTS GMBH (DE) 2006-06-15 US 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 (2 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-20060128673-A1 Pharmaceutical compositions comprising CB1 cannabinoid receptor antagonists and potassium channel openers for the treatment of obesity and related conditions CNR1, CNR2, KCNJ11 CA9 1944/4885CA12 3462/4885CA1 3046/4885
US-20070254862-A1 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators CNR1, CNR2, KCNJ11 CA9 1525/4885CA12 2316/4885CA1 1390/4885

“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.