SCHEMBL791827

SCHEMBL791827

O=C1COc2c(cccc2N2CCN(CCCCNS(=O)(=O)c3ccc4c(c3)OCO4)CC2)N1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.52
HTR1A P08908 14/20 0.48
ADRA2A P08913 3/20 0.46
DRD4 P21917 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
DRD3 P35462 2/20 0.46
SLC6A4 P31645 3/20 0.46
KCNH2 Q12809 2/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
HTR7 P34969 6/20 0.45
HTR2A P28223 6/20 0.45
HTR6 P50406 4/20 0.45
HTR2B P41595 2/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL791205 0.97 DRD2 (0.53) DRD2HTR1AADRA2ASLC6A4KCNH2
SCHEMBL792746 0.88 DRD2 (0.61) DRD2HTR1AADRA2AHTR7HTR2A
SCHEMBL791718 0.88 DRD2 (0.53) DRD2HTR1AADRA2ADRD4ADRA1D
SCHEMBL791125 0.87 DRD2 (0.53) DRD2HTR1AADRA2ADRD4ADRA1D
SCHEMBL792873 0.87 HTR1A (0.61) DRD2HTR1AADRA2ADRD4ADRA1D
SCHEMBL792874 0.86 DRD2 (0.51) DRD2HTR1ADRD4ADRA1DADRA1A
SCHEMBL792823 0.86 HTR7 (0.58) DRD2HTR1AADRA2ADRD4ADRA1D
SCHEMBL793150 0.85 HTR7 (0.57) DRD2HTR1AADRA2ADRD4ADRA1D
SCHEMBL791342 0.85 DRD2 (0.51) DRD2HTR1AADRA2ADRD4ADRA1D
SCHEMBL792868 0.85 HTR1A (0.50) DRD2HTR1AADRA2ADRD4ADRA1D

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 DRD2 3216/4885HTR1A 1354/4885ADRA2A 2725/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS DRD2 3216/4885HTR1A 1354/4885ADRA2A 2725/4885

“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.