SCHEMBL4055289

SCHEMBL4055289

NCCCCN1c2ccccc2N(c2ccc(Cl)cc2)S1(O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 1/20 0.34
KIF11 P52732 1/20 0.33
DRD2 P14416 6/20 0.33
HTR2A P28223 4/20 0.33
HTR1A P08908 3/20 0.33
HTR7 P34969 3/20 0.33
HTR6 P50406 3/20 0.33
DRD4 P21917 2/20 0.33
DRD5 P21918 2/20 0.33
DRD3 P35462 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL4055117 0.96 SLC6A2 (0.36) PIM1SLC6A2SLC6A4KIF11DRD2
Hydrochloric Acid SCHEMBL4939183 0.95 SLC6A2 (0.36) SLC6A2SLC6A4KIF11DRD2HTR2A
SCHEMBL4054212 0.90 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL4055292 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL4063223 0.83 SLC6A2 (0.39) SLC6A2SLC6A4DRD2HTR2AHTR1A
SCHEMBL4054996 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL4061668 0.82 SLC6A2 (0.55) SLC6A2SLC6A4DRD2HTR2ADRD3
SCHEMBL4938322 0.80 KMT2A (0.39) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL4054219 0.80 SLC6A2 (0.36) PIM1SLC6A2SLC6A4DRD2HTR2A
SCHEMBL4061650 0.80 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US 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 PIM1 4308/4885SLC6A2 2/4885SLC6A4 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.