SCHEMBL13612844

SCHEMBL13612844

CC(c1ccccc1)[C@H]1NC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](C2CC2)NCC2CCc3cccc(c3O2)CCCNC1=O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.53
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL13612861 0.97 GHSR (0.50) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL13612824 0.89 GHSR (0.50) GHSR
SCHEMBL13612840 0.88 GHSR (0.54) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL13612845 0.88 GHSR (0.56) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL13612859 0.86 GHSR (0.51) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL13612847 0.86 GHSR (0.53) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL13612838 0.85 GHSR (0.70) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL13612770 0.84 GHSR (0.57) GHSR
SCHEMBL13612863 0.83 GHSR (0.66) GHSRCYP3A4CYP2D6CYP2C9
SCHEMBL13612843 0.81 GHSR (0.70) GHSRCYP3A4CYP2D6CYP2C9

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-20090275648-A1 MACROCYCLIC GHRELIN RECEPTOR ANTAGONISTS AND INVERSE AGONISTS AND METHODS OF USING THE SAME OCERA THERAPEUTICS, INC. 2009-11-05 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-20090275648-A1 MACROCYCLIC GHRELIN RECEPTOR ANTAGONISTS AND INVERSE AGONISTS AND METHODS OF USING THE SAME GHSR, GIPR, GHRHR GHSR 1/4885CYP3A4 3570/4885CYP2D6 3375/4885

“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.