SCHEMBL14088564

SCHEMBL14088564

COc1cccc(N2c3ccccc3N(CCCO)S2(=O)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.65
SLC6A3 Q01959 6/20 0.65
SLC6A4 P31645 3/20 0.58
KCNH2 Q12809 1/20 0.45
RORC P51449 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL4061076 0.88 SLC6A2 (0.62) SLC6A2SLC6A3SLC6A4KCNH2HTR1A
SCHEMBL4060478 0.86 SLC6A2 (0.70) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4943281 0.79 SLC6A2 (0.76) SLC6A2SLC6A3SLC6A4
SCHEMBL3617038 0.79 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4055833 0.79 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3603690 0.79 SLC6A2 (0.81) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4061277 0.75 SLC6A2 (0.77) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4063830 0.75 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL13673700 0.74 SLC6A2 (0.75) SLC6A2SLC6A3SLC6A4
SCHEMBL4060482 0.74 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4KCNH2DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194654-A1 HYDROXY-SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-08-14 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-20080194654-A1 HYDROXY-SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, TPH1 SLC6A2 2/4885SLC6A3 7/4885SLC6A4 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.