SCHEMBL1709714

SCHEMBL1709714

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(COC(=O)NC2CCCCC2)nn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.44
EPHX1 P07099 3/20 0.37
CYP3A4 P08684 2/20 0.35
OPRM1 P35372 2/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL10121961 0.88 GHSR (0.43) GHSREPHX1OPRM1TSHRALDH1A1
SCHEMBL10122098 0.87 GHSR (0.43) GHSRCYP3A4OPRM1LMNATSHR
SCHEMBL1709564 0.87 GHSR (0.44) GHSREPHX1CYP3A4OPRM1CHRM2
SCHEMBL1709629 0.86 GHSR (0.45) GHSREPHX1CYP3A4OPRM1CHRM2
SCHEMBL10122248 0.86 GHSR (0.56) GHSREPHX1CYP3A4OPRM1CHRM2
SCHEMBL1709626 0.85 GHSR (0.45) GHSREPHX1CYP3A4OPRM1CHRM2
SCHEMBL1709557 0.84 GHSR (0.48) GHSRSCN1ASCN2ASCN3A
SCHEMBL1709627 0.83 GHSR (0.46) GHSRKCNH2TSHRALDH1A1SCN1A
SCHEMBL1709687 0.83 GHSR (0.52) GHSROPRM1CHRM2HTR1AADRA2A
SCHEMBL1709565 0.82 GHSR (0.43) GHSRTSHRALDH1A1MEN1KMT2A

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 1/4885EPHX1 2690/4885CYP3A4 3685/4885

“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.