SCHEMBL4945756

SCHEMBL4945756

CN(C)CCCCN1c2ccccc2N(c2ccc(F)cc2F)S1(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.45
SLC6A3 Q01959 8/20 0.45
SLC6A4 P31645 7/20 0.40
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
XDH P47989 1/20 0.34
ACHE P22303 1/20 0.34
SLC22A1 O15245 2/20 0.33
PRNP P04156 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
HTR1A P08908 2/20 0.33
CHRM5 P08912 2/20 0.33
CYP2D6 P10635 2/20 0.33
CHRM1 P11229 2/20 0.33
DRD2 P14416 2/20 0.33
ADRA2B P18089 2/20 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 SCHEMBL4944139 0.99 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KDM4EHTT
SCHEMBL4058148 0.99 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KDM4EHTT
Hydrochloric Acid SCHEMBL4945029 0.98 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KDM4EHTT
SCHEMBL4059609 0.96 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4KDM4EHTT
Hydrochloric Acid SCHEMBL4940335 0.95 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4KDM4EHTT
SCHEMBL4063394 0.90 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4KDM4EKCNH2
SCHEMBL4063154 0.89 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KDM4EKCNH2
Hydrochloric Acid SCHEMBL4945777 0.89 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4KDM4EKCNH2
SCHEMBL4055875 0.89 ACHE (0.36) SLC6A2SLC6A3SLC6A4KDM4EKCNH2
SCHEMBL4065949 0.88 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4KDM4EKCNH2

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 2 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
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.