SCHEMBL791639

SCHEMBL791639

O=S(=O)(NCCCN1CCN(c2cccc3c2OCCO3)CC1)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.53
HTR7 P34969 2/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
DRD2 P14416 1/20 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
DRD3 P35462 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
SCHEMBL791666 0.90 L3MBTL1 (0.58) HTR1AHTR7
SCHEMBL792717 0.90 HTR1A (0.64) HTR1AHTR7HTR2AHTR2CDRD2
SCHEMBL791766 0.89 HTR1A (0.58) HTR1AHTR7HTR2AHTR2CDRD2
SCHEMBL792132 0.88 L3MBTL1 (0.62) HTR1AHTR2ADRD2
SCHEMBL793277 0.87 HTR1A (0.59) HTR1AHTR7HTR2ADRD2DRD4
SCHEMBL791558 0.86 HTR7 (0.68) HTR1AHTR7HTR2AHTR2CDRD2
SCHEMBL791927 0.86 HTR7 (0.58) HTR1AHTR7DRD4ADRA1A
SCHEMBL790775 0.85 HTR1A (0.50) HTR1AHTR7
SCHEMBL790804 0.85 HTR1A (0.57) HTR1AHTR7DRD2DRD4ADRA1D
SCHEMBL792716 0.85 CCR1 (0.53) HTR1AHTR7HTR2ADRD2DRD4

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 1354/4885HTR7 1419/4885HTR2A 1150/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS HTR1A 1354/4885HTR7 1419/4885HTR2A 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.