SCHEMBL5444352

SCHEMBL5444352

CCOC(=O)C1(c2ccc(N3CCN(C(=O)O)C(C(C)(C)C)C3)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.43
OPRD1 P41143 5/20 0.43
OPRK1 P41145 5/20 0.43
SLC22A1 O15245 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43
KCNA3 P22001 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL348169 0.82 SMN1; SMN2 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL349134 0.78 OPRM1 (0.51) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22638185 0.77 ME2 (0.51) SLC6A4
SCHEMBL5444355 0.76 SMN1; SMN2 (0.54) OPRM1HPGDSMN1; SMN2
SCHEMBL27676379 0.76 HPGD (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL25273965 0.76 GRM1 (0.43) SLC6A4
SCHEMBL28763231 0.75 OPRM1 (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL5449861 0.73 HSD11B1 (0.62)
SCHEMBL5442809 0.73 NR1H2 (0.39) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3554487 0.73 CHRM4 (0.51)

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-20070179142-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-08-02 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-20070179142-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 OPRM1 612/4885OPRD1 399/4885OPRK1 647/4885

“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.