SCHEMBL4057553

SCHEMBL4057553

OS1(O)N(CCCNC2CC2)c2ccccc2N1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.51
SLC6A4 P31645 6/20 0.37
ALDH1A1 P00352 2/20 0.37
SLC6A3 Q01959 6/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL4053858 0.96 SLC6A2 (0.50) SLC6A2SLC6A4ALDH1A1SLC6A3KCNH2
SCHEMBL4061549 0.92 SLC6A2 (0.44) SLC6A2SLC6A4ALDH1A1SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4937687 0.91 SLC6A2 (0.43) SLC6A2SLC6A4ALDH1A1SLC6A3KCNH2
SCHEMBL4057002 0.90 SLC6A2 (0.43) SLC6A2ALDH1A1SLC6A3GRIN2B
SCHEMBL4060785 0.85 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL4057547 0.85 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3KCNH2
Bicarbonate SCHEMBL3611784 0.84 SLC6A2 (0.41) SLC6A2SLC6A4ALDH1A1SLC6A3KCNH2
SCHEMBL4055118 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4943559 0.83 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4057911 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2

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 2/4885SLC6A4 1/4885ALDH1A1 687/4885

“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.