SCHEMBL791205

SCHEMBL791205

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.53
HTR1A P08908 11/20 0.49
HTR7 P34969 7/20 0.47
HTR1D P28221 3/20 0.46
HTR1B P28222 3/20 0.46
SLC6A4 P31645 3/20 0.46
KCNH2 Q12809 2/20 0.46
HTR2A P28223 6/20 0.45
HTR6 P50406 4/20 0.45
HTR2C P28335 2/20 0.45
ADRA2A P08913 2/20 0.45
PKM P14618 1/20 0.45
HTR2B P41595 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL791827 0.97 DRD2 (0.52) DRD2HTR1AHTR7HTR1DHTR1B
SCHEMBL792337 0.87 DRD2 (0.51) DRD2HTR1AHTR7HTR1DHTR1B
SCHEMBL792874 0.87 DRD2 (0.51) DRD2HTR1AHTR7HTR1DHTR1B
SCHEMBL793369 0.86 HTR7 (0.55) DRD2HTR1AHTR7HTR2AHTR6
SCHEMBL792746 0.86 DRD2 (0.61) DRD2HTR1AHTR7HTR2AHTR6
SCHEMBL791718 0.85 DRD2 (0.53) DRD2HTR1AHTR7HTR2AHTR6
SCHEMBL791531 0.85 HTR7 (0.54) DRD2HTR1AHTR7HTR2AHTR6
SCHEMBL791125 0.85 DRD2 (0.53) DRD2HTR1AHTR7HTR1DHTR1B
SCHEMBL792784 0.85 DRD2 (0.51) DRD2HTR1AHTR7HTR1DHTR1B
SCHEMBL792873 0.84 HTR1A (0.61) DRD2HTR1AHTR7HTR1DHTR1B

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 1354/4885HTR7 1419/4885
US-20130172365-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ARSA, PMP22, STS DRD2 3216/4885HTR1A 1354/4885HTR7 1419/4885

“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.