SCHEMBL4059522

SCHEMBL4059522

CNCCCN1c2ccccc2N(c2ccc(C)cc2)S1(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.54
SLC6A3 Q01959 6/20 0.50
SLC6A4 P31645 4/20 0.46
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NFKB1 P19838 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4059292 0.91 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4KCNH2CYP3A4
SCHEMBL4061668 0.88 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4KCNH2CYP3A4
SCHEMBL4053312 0.88 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4KCNH2CYP3A4
SCHEMBL4053529 0.86 SLC6A2 (0.54) SLC6A2SLC6A3SLC6A4KCNH2CYP3A4
SCHEMBL4064537 0.86 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4KCNH2CYP3A4
SCHEMBL4052761 0.86 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4947338 0.86 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4065889 0.86 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4KCNH2CYP3A4
Hydrochloric Acid SCHEMBL4947362 0.85 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4KCNH2CYP3A4
SCHEMBL4065783 0.85 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4

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.