SCHEMBL16624606

SCHEMBL16624606

CN(C(=O)/C=C/CC1(C)CCC1)[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC(O)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.39
CYP51A1 Q16850 4/20 0.35
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
MME P08473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
OPRD1 P41143 1/20 0.33
REN P00797 1/20 0.33
PYGL P06737 1/20 0.33
CHRM1 P11229 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL15533171 0.91 GHSR (0.40) GHSRCYP51A1DPP4FAPDPP8
SCHEMBL867707 0.91 GHSR (0.40) GHSRCYP51A1DPP4FAPDPP8
SCHEMBL867706 0.91 GHSR (0.40) GHSRCYP51A1DPP4FAPDPP8
SCHEMBL10039187 0.85 GHSR (0.40) GHSRDPP4FAPDPP8DPP9
SCHEMBL13374464 0.85 GHSR (0.39) GHSRCYP51A1DPP4FAPDPP8
SCHEMBL868545 0.84 GHSR (0.57) GHSRCYP51A1DPP4OPRD1
SCHEMBL868544 0.84 GHSR (0.57) GHSRCYP51A1DPP4OPRD1
SCHEMBL867917 0.82 GHSR (0.53) GHSRCYP51A1MMEPYGLHPGD
SCHEMBL867918 0.82 GHSR (0.53) GHSRCYP51A1MMEPYGLHPGD
SCHEMBL867608 0.82 GHSR (0.45) GHSRCYP51A1OPRD1

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-20150099709-A1 GHRELIN RECEPTOR AGONISTS FOR THE TREATMENT OF ACHLORHYDRIA RAQUALIA PHARMA INC. (JP) 2015-04-09 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-20150099709-A1 GHRELIN RECEPTOR AGONISTS FOR THE TREATMENT OF ACHLORHYDRIA GIPR, GHSR, GLP1R GHSR 2/4885CYP51A1 2303/4885DPP4 512/4885

“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.