SCHEMBL1709656

SCHEMBL1709656

CCN(CC)CCCS(=O)(=O)N(C)[C@H](CCc1ccccc1)c1nc(CN(C)C(=O)N2CCCCC2)nn1C

nearest known ligand 0.35

Predicted protein targets (top 15)

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
TSHR P16473 1/20 0.32
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
CPS1 P31327 1/20 0.32
CCR4 P51679 1/20 0.31
ATM Q13315 1/20 0.31
MAOB P27338 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
SCHEMBL10122251 0.88 GHSR (0.34) ALDH1A1GHSRTSHRCHRM1CHRM2
SCHEMBL1709698 0.87 DPP7 (0.35) DPP7HRH3ALDH1A1MAPTGHSR
SCHEMBL10122242 0.86 AGTR2 (0.33) ALDH1A1GHSRTSHRCHRM1CHRM2
SCHEMBL10121857 0.86 GHSR (0.44) DPP7HRH3ALDH1A1MAPTGHSR
SCHEMBL10122095 0.85 GHSR (0.45) DPP7HRH3ALDH1A1MAPTGHSR
SCHEMBL1709638 0.85 GHSR (0.40) DPP7HRH3ALDH1A1MAPTGHSR
SCHEMBL1709693 0.85 GHSR (0.35) ALDH1A1GHSRTSHRBCHEACHE
SCHEMBL1709573 0.76 GHSR (0.44) DPP7HRH3ALDH1A1MAPTGHSR
SCHEMBL10121858 0.75 GHSR (0.46) ALDH1A1MAPTGHSRTSHRBCHE
SCHEMBL1709651 0.75 GHSR (0.56) DPP7HRH3ALDH1A1MAPTGHSR

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.