SCHEMBL792144

SCHEMBL792144

O=S(=O)(NCCCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.54
PKM P14618 4/20 0.53
PKLR P30613 4/20 0.53
DRD2 P14416 5/20 0.51
DRD3 P35462 2/20 0.51
HTR2A P28223 1/20 0.51
ADRA2A P08913 3/20 0.50
DRD4 P21917 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50

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
SCHEMBL793365 0.88 HTR1A (0.66) HTR1ADRD2HTR2AADRA2A
SCHEMBL792618 0.88 HTR1A (0.57) HTR1APKMPKLRDRD2DRD3
SCHEMBL790903 0.88 HTR7 (0.55) HTR1ADRD2DRD3HTR2ADRD4
SCHEMBL790850 0.87 HTR1A (0.61) HTR1ADRD2DRD3HTR2ADRD4
SCHEMBL791311 0.87 DRD2 (0.58) HTR1ADRD2HTR2AADRA2A
SCHEMBL791585 0.87 HTR1A (0.56) HTR1ADRD2HTR2ADRD4ADRA1A
SCHEMBL792132 0.87 L3MBTL1 (0.62) HTR1ADRD2HTR2A
SCHEMBL790775 0.86 HTR1A (0.50) HTR1A
SCHEMBL793277 0.86 HTR1A (0.59) HTR1ADRD2DRD3HTR2ADRD4
SCHEMBL792716 0.86 CCR1 (0.53) HTR1ADRD2DRD3HTR2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616440-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES Adamed sp. z o.o. (PL) 2013-07-24 EP claimed
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z.O.O. (PL) 2013-07-04 US claimed
WO-2012035123-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2012-03-22 WO claimed
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 HTR1A 1354/4885PKM 2319/4885PKLR 2709/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS HTR1A 1354/4885PKM 2319/4885PKLR 2709/4885

“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.