SCHEMBL791804

SCHEMBL791804

O=c1[nH]c2c(N3CCN(CCCCNS(=O)(=O)c4cc5cc(Cl)ccc5s4)CC3)cccc2o1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 20/20 0.55
HTR6 P50406 20/20 0.55
HTR2A P28223 16/20 0.55
DRD2 P14416 13/20 0.55
HTR1A P08908 4/20 0.46
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 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
SCHEMBL792396 0.98 HTR7 (0.54) HTR7HTR6HTR2ADRD2HTR1A
SCHEMBL793126 0.88 DRD2 (0.53) HTR7HTR6HTR2ADRD2HTR1A
SCHEMBL15064463 0.86 HTR7 (0.52) HTR7HTR6HTR2ADRD2HTR1A
SCHEMBL792477 0.86 HTR7 (0.61) HTR7HTR6HTR2ADRD2HTR1A
SCHEMBL791038 0.85 DRD2 (0.51) HTR7HTR6HTR2ADRD2HTR1A
SCHEMBL792446 0.85 HTR7 (0.59) HTR7HTR6HTR2ADRD2HTR1A
SCHEMBL791286 0.84 HTR7 (0.52) HTR7HTR6HTR2ADRD2HTR1A
SCHEMBL15064342 0.83 HTR7 (0.51) HTR7HTR6HTR2ADRD2HTR1A
SCHEMBL792815 0.83 HTR7 (0.60) HTR7HTR6HTR2ADRD2HTR1A
SCHEMBL791492 0.83 CCR1 (0.51) HTR7HTR6HTR2ADRD2HTR1A

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-9120767-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z.O.O. (PL) 2015-09-01 US disclosed
US-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2014-11-13 US disclosed
US-8822517-B2 Arylosulfonamides for the treatment of CNS diseases ADAMED SP. Z O.O. (PL) 2014-09-02 US disclosed
EP-2616440-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES Adamed sp. z o.o. (PL) 2013-07-24 EP disclosed
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z.O.O. (PL) 2013-07-04 US disclosed
WO-2012035123-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2012-03-22 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 (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-20140336200-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS HTR7 1419/4885HTR6 1131/4885HTR2A 1150/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS HTR7 1419/4885HTR6 1131/4885HTR2A 1150/4885

“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.