SCHEMBL1709573

SCHEMBL1709573

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.44
HRH3 Q9Y5N1 5/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
MC4R P32245 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL1709711 0.92 GHSR (0.44) GHSRHRH3ALDH1A1MAPTDPP7
SCHEMBL1709572 0.89 GHSR (0.46) GHSRALDH1A1GAATSHRSCN1A
SCHEMBL1709561 0.88 GHSR (0.45) GHSRALDH1A1MAPTDPP7GAA
SCHEMBL10122210 0.88 GHSR (0.46) GHSRALDH1A1GAATSHRSCN1A
SCHEMBL10121857 0.87 GHSR (0.44) GHSRHRH3ALDH1A1MAPTDPP7
SCHEMBL10122249 0.87 GHSR (0.46) GHSRALDH1A1GAATSHRCYP3A4
SCHEMBL1709740 0.87 GHSR (0.45) GHSRGAACYP2D6SCN1ASCN2A
SCHEMBL1709678 0.86 GHSR (0.43) GHSRALDH1A1GAATSHR
SCHEMBL1709732 0.86 GHSR (0.43) GHSRALDH1A1CYP3A4
SCHEMBL1709739 0.86 GHSR (0.45) GHSRALDH1A1GAATSHRSCN1A

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 GHSR 1/4885HRH3 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.