SCHEMBL4054006

SCHEMBL4054006

CN(C)CCCCCN1c2ccccc2N(c2ccc(F)cc2Cl)S1(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
SLC6A2 P23975 11/20 0.35
SLC6A3 Q01959 9/20 0.35
XDH P47989 1/20 0.34
SLC6A4 P31645 6/20 0.33
KCNH2 Q12809 5/20 0.33
HTR1A P08908 5/20 0.33
CYP2D6 P10635 5/20 0.33
DRD2 P14416 5/20 0.33
TP53 P04637 4/20 0.33
CYP1A2 P05177 4/20 0.33
LMNA P02545 4/20 0.33
MAPT P10636 4/20 0.33
SLC22A1 O15245 4/20 0.33
CHRM2 P08172 4/20 0.33
CHRM4 P08173 4/20 0.33
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 0.33

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
Hydrochloric Acid SCHEMBL4065545 0.99 ACHE (0.37) ACHESLC6A2SLC6A3XDHSLC6A4
SCHEMBL4055875 0.99 ACHE (0.36) ACHESLC6A2SLC6A3XDHSLC6A4
Hydrochloric Acid SCHEMBL4062357 0.98 ACHE (0.38) ACHESLC6A2SLC6A3XDHSLC6A4
SCHEMBL4058148 0.89 SLC6A2 (0.44) ACHESLC6A2SLC6A3XDHSLC6A4
Hydrochloric Acid SCHEMBL4945029 0.88 SLC6A2 (0.44) ACHESLC6A2SLC6A3XDHSLC6A4
SCHEMBL4945756 0.88 SLC6A2 (0.45) ACHESLC6A2SLC6A3XDHSLC6A4
SCHEMBL4054010 0.87 SLC6A2 (0.47) ACHESLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4944139 0.87 SLC6A2 (0.44) ACHESLC6A2SLC6A3XDHSLC6A4
Hydrochloric Acid SCHEMBL4065542 0.86 SLC6A2 (0.47) ACHESLC6A2SLC6A3XDHSLC6A4
SCHEMBL4055877 0.86 SLC6A2 (0.48) ACHESLC6A2SLC6A3SLC6A4KCNH2

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 ACHE 92/4885SLC6A2 2/4885SLC6A3 3/4885

“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.