SCHEMBL1709698

SCHEMBL1709698

CCN(CC)CCCS(=O)(=O)N(C)[C@H](CCc1ccccc1)c1nc(CN(C)C(=O)N2CCCCC2)n(C)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.35
HRH3 Q9Y5N1 6/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
GHSR Q92847 1/20 0.33
CHRM1 P11229 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ATM Q13315 1/20 0.31
MAOB P27338 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1709656 0.87 DPP7 (0.35) DPP7HRH3ALDH1A1MAPTGHSR
SCHEMBL1709573 0.86 GHSR (0.44) DPP7HRH3ALDH1A1MAPTGHSR
SCHEMBL10121787 0.83 L3MBTL1 (0.36) GHSRCHRM1
SCHEMBL1709638 0.82 GHSR (0.40) DPP7HRH3ALDH1A1MAPTGHSR
SCHEMBL1709711 0.78 GHSR (0.44) DPP7HRH3ALDH1A1MAPTGHSR
SCHEMBL10121857 0.76 GHSR (0.44) DPP7HRH3ALDH1A1MAPTGHSR
SCHEMBL10122095 0.75 GHSR (0.45) DPP7HRH3ALDH1A1MAPTGHSR
SCHEMBL1709572 0.74 GHSR (0.46) ALDH1A1GHSRBCHEACHEATM
SCHEMBL10122251 0.74 GHSR (0.34) ALDH1A1GHSRCHRM1CHRM2BCHE
SCHEMBL1709740 0.74 GHSR (0.45) GHSRBCHEACHEGAA

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-20120088747-A1 SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF ELIXIR PHARMACEUTICALS, INC. 2012-04-12 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-20120088747-A1 SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF GHSR, GHRHR, STS DPP7 1048/4885HRH3 706/4885ALDH1A1 3182/4885

“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.