SCHEMBL12062181

SCHEMBL12062181

COc1ccc(CCN(C2CCNCC2)S(=O)(=O)c2cccc(C(C)(C)C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
KCNH2 Q12809 3/20 0.46
SLC6A3 Q01959 2/20 0.46
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
SPPL2A Q8TCT8 1/20 0.44
CACNA1B Q00975 2/20 0.43
CACNA1C Q13936 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
RORC P51449 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL12062133 0.88 SLC6A4 (0.45) SLC6A2SLC6A4KCNH2SLC6A3PSEN1
SCHEMBL12062176 0.88 PSEN1 (0.47) SLC6A2SLC6A4KCNH2SLC6A3PSEN1
SCHEMBL17277326 0.87 SLC6A2 (0.48) SLC6A2SLC6A4KCNH2SLC6A3PSEN1
SCHEMBL20082493 0.85 SLC6A2 (0.48) SLC6A2SLC6A4KCNH2SLC6A3PSEN1
SCHEMBL12062152 0.82 SLC6A2 (0.44) SLC6A2SLC6A4KCNH2SLC6A3PSEN1
SCHEMBL12062129 0.82 SLC6A2 (0.47) SLC6A2SLC6A4KCNH2SLC6A3PSEN1
SCHEMBL549100 0.80 CNR1 (0.47) SLC6A2SLC6A4KCNH2SLC6A3PSEN1
SCHEMBL12062002 0.78 PSEN1 (0.50) SLC6A2SLC6A4KCNH2SLC6A3PSEN1
SCHEMBL12062182 0.78 SLC6A2 (0.47) SLC6A2SLC6A4KCNH2SLC6A3PSEN1
SCHEMBL12062033 0.78 SLC6A2 (0.52) SLC6A2SLC6A4KCNH2SLC6A3PSEN1

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-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT SLC6A2 3776/4885SLC6A4 4116/4885KCNH2 3637/4885

“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.