SCHEMBL792940

SCHEMBL792940

O=S(=O)(NCCCCN1CCN(c2cccc3c2OC(F)(F)O3)CC1)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.53
DRD2 P14416 9/20 0.53
DRD4 P21917 2/20 0.53
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
DRD3 P35462 2/20 0.53
HTR7 P34969 13/20 0.52
HTR6 P50406 12/20 0.52
HTR2A P28223 8/20 0.52
CCR1 P32246 1/20 0.51
ADRA2A P08913 1/20 0.47

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
SCHEMBL791677 0.98 CCR1 (0.53) HTR1ADRD2DRD4ADRA1DADRA1A
SCHEMBL15064835 0.91 HTR1A (0.53) HTR1ADRD2DRD4ADRA1DADRA1A
SCHEMBL15986108 0.88 HTR7 (0.52) HTR1ADRD2DRD4ADRA1DADRA1A
SCHEMBL791329 0.88 HTR7 (0.64) HTR1ADRD2HTR7HTR6HTR2A
SCHEMBL792293 0.85 HTR7 (0.68) HTR1ADRD2HTR7HTR6HTR2A
SCHEMBL790903 0.84 HTR7 (0.55) HTR1ADRD2DRD4ADRA1DADRA1A
SCHEMBL792716 0.83 CCR1 (0.53) HTR1ADRD2DRD4ADRA1DADRA1A
SCHEMBL791587 0.81 HTR7 (0.58) HTR1ADRD2HTR7HTR6HTR2A
SCHEMBL791718 0.79 DRD2 (0.53) HTR1ADRD2DRD4ADRA1DADRA1A
SCHEMBL792926 0.79 HTR7 (0.54) HTR1ADRD2HTR7HTR6HTR2A

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 HTR1A 1354/4885DRD2 3216/4885DRD4 3761/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS HTR1A 1354/4885DRD2 3216/4885DRD4 3761/4885

“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.