SCHEMBL790755

SCHEMBL790755

O=S(=O)(NCCCCN1CCN(c2cccc3[nH]ccc23)CC1)c1c[nH]c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 0.63
HTR1A P08908 11/20 0.63
HTR6 P50406 11/20 0.51
HTR2A P28223 8/20 0.51
DRD2 P14416 8/20 0.50
DRD3 P35462 2/20 0.49
ADRA1A P35348 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL791263 0.81 DRD2 (0.58) HTR7HTR1AHTR6HTR2ADRD2
SCHEMBL792805 0.80 DRD2 (0.53) HTR7HTR1AHTR6HTR2ADRD2
SCHEMBL15064357 0.80 HTR7 (0.65) HTR7HTR1AHTR6HTR2ADRD2
SCHEMBL798604 0.79 HTR7 (0.57) HTR7HTR1AHTR6HTR2ADRD2
SCHEMBL798515 0.79 DRD2 (0.54) HTR7HTR1AHTR6HTR2ADRD2
SCHEMBL792919 0.78 HTR1A (0.67) HTR7HTR1AHTR6HTR2ADRD2
SCHEMBL791128 0.78 HTR7 (1.00) HTR7HTR1AHTR6HTR2ADRD2
SCHEMBL792349 0.78 HTR7 (0.71) HTR7HTR1AHTR6HTR2ADRD2
SCHEMBL792428 0.78 HTR7 (0.56) HTR7HTR1AHTR6HTR2ADRD2
SCHEMBL15064829 0.77 HTR7 (0.64) HTR7HTR1AHTR6HTR2ADRD2

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
CN-103108864-A Arylsulfonamides for treatment of CNS disorders ADAMED SP ZOO 2013-05-15 CN 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
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z.O.O. (PL) 2013-07-04 US disclosed
CN-103108864-A Arylsulfonamides for treatment of CNS disorders ADAMED SP ZOO 2013-05-15 CN 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 1419/4885HTR1A 1354/4885HTR6 1131/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS HTR7 1419/4885HTR1A 1354/4885HTR6 1131/4885

“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.