SCHEMBL4060482

SCHEMBL4060482

CNCCCN1c2ccccc2N(c2cccc(OC)c2)S1(O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.58
SLC6A3 Q01959 4/20 0.54
SLC6A4 P31645 4/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR1B P28222 1/20 0.38
HTR7 P34969 2/20 0.37
KDM4E B2RXH2 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
KCNH2 Q12809 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
SCHEMBL4065889 0.88 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CHRM2CHRM1
SCHEMBL4942904 0.87 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4DRD2KCNH2
SCHEMBL4060478 0.86 SLC6A2 (0.70) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4938343 0.86 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4DRD2KCNH2
SCHEMBL4064537 0.86 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CHRM2CHRM1
SCHEMBL4059292 0.85 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4CHRM2CHRM1
SCHEMBL4376374 0.85 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4942942 0.85 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4CHRM2CHRM1
SCHEMBL4054900 0.85 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4944454 0.84 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4CHRM2CHRM1

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
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
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US 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.