SCHEMBL4059609

SCHEMBL4059609

CN(C)CCCN1c2ccccc2N(c2ccc(F)cc2F)S1(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.46
SLC6A3 Q01959 7/20 0.46
SLC6A4 P31645 6/20 0.39
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 3/20 0.37
CYP2D6 P10635 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
SLC22A1 O15245 2/20 0.36
PRNP P04156 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
HTR1A P08908 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
DRD2 P14416 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
CHRM3 P20309 2/20 0.36

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
Hydrochloric Acid SCHEMBL4940335 0.99 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4KDM4EHTT
SCHEMBL4945756 0.96 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4KDM4EHTT
Hydrochloric Acid SCHEMBL4944139 0.95 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KDM4EHTT
SCHEMBL4058148 0.95 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KDM4EHTT
Hydrochloric Acid SCHEMBL4945029 0.94 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KDM4EHTT
SCHEMBL4055055 0.87 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4KDM4EHTT
Hydrochloric Acid SCHEMBL4941493 0.86 ACHE (0.39) SLC6A2SLC6A3SLC6A4KDM4EHTT
SCHEMBL3608047 0.86 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4KDM4EHTT
SCHEMBL4063394 0.86 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4KDM4EKCNH2
SCHEMBL4059611 0.86 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4KCNH2

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
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP claimed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US claimed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO claimed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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 (1 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885SLC6A4 1/4885

“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.