SCHEMBL3608738

SCHEMBL3608738

O=C(O)N1CCC[C@@H](CN2c3ccccc3N(c3ccccc3)S2(O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
RORC P51449 1/20 0.42
SLC6A2 P23975 8/20 0.41
SLC6A4 P31645 2/20 0.41
GRM5 P41594 1/20 0.37
GRM7 Q14831 1/20 0.37
GRM3 Q14832 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
SLC6A3 Q01959 3/20 0.36
ABCB11 O95342 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD1 P21728 1/20 0.36
PTGS1 P23219 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 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
SCHEMBL3607024 1.00 GFER (0.42) GFERRORCSLC6A2SLC6A4GRM5
SCHEMBL3617247 0.89 SLC6A2 (0.49) GFERRORCSLC6A2SLC6A4CHRM2
SCHEMBL3616906 0.89 SLC6A2 (0.49) GFERRORCSLC6A2SLC6A4CHRM2
SCHEMBL3608735 0.89 SLC6A2 (0.54) GFERRORCSLC6A2SLC6A4SLC6A3
SCHEMBL3607020 0.89 SLC6A2 (0.54) GFERRORCSLC6A2SLC6A4SLC6A3
SCHEMBL3605045 0.86 HTR6 (0.48) RORCHTR6PKMFEN1
SCHEMBL3617241 0.80 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3616900 0.80 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3605057 0.76 HTR6 (0.47) SLC6A2SLC6A4HTR6FEN1
SCHEMBL3605040 0.75 SLC6A2 (0.49) RORCSLC6A2SLC6A4SLC6A3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
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-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 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 (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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 GFER 1124/4885RORC 2398/4885SLC6A2 2/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 GFER 1124/4885RORC 2398/4885SLC6A2 2/4885

“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.