SCHEMBL20228991

SCHEMBL20228991

CC(F)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)C(CC1C=c2ccccc2=CC1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 3/20 0.42
▸ PRSS1 P07477 3/20 0.42
▸ PRSS2 P07478 3/20 0.42
▸ PRSS3 P35030 3/20 0.42
▸ KISS1R Q969F8 3/20 0.41
▸ FOLH1 Q04609 3/20 0.40
▸ MC4R P32245 3/20 0.40
▸ MC3R P41968 1/20 0.40
▸ MC1R Q01726 1/20 0.40
▸ NMUR2 Q9GZQ4 2/20 0.39
▸ NMUR1 Q9HB89 2/20 0.39
▸ QRFPR Q96P65 1/20 0.39
▸ CAPN1 P07384 1/20 0.38
▸ EPHA2 P29317 1/20 0.38

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
SCHEMBL20228974 0.94 PLG (0.45) PLGPRSS1PRSS2PRSS3KISS1R
SCHEMBL20228973 0.92 KISS1R (0.41) PLGPRSS1PRSS2PRSS3KISS1R
SCHEMBL22640195 0.91 PLG (0.49) PLGPRSS1PRSS2PRSS3KISS1R
SCHEMBL20228972 0.89 PLG (0.45) PLGPRSS1PRSS2PRSS3KISS1R
SCHEMBL20228992 0.89 PLG (0.51) PLGPRSS1PRSS2PRSS3KISS1R
SCHEMBL22640191 0.88 KISS1R (0.46) PLGPRSS1PRSS2PRSS3KISS1R
SCHEMBL22640190 0.85 PLG (0.52) PLGPRSS1PRSS2PRSS3KISS1R
SCHEMBL22640189 0.82 PLG (0.49) PLGPRSS1PRSS2PRSS3KISS1R
SCHEMBL14527564 0.77 CAPN1 (0.51) PLGPRSS1PRSS2PRSS3MC4R
SCHEMBL14527547 0.76 CAPN1 (0.58) MC4RMC3RMC1RCAPN1

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-20180155395-A1 PEPTIDOMIMETICS FOR IMAGING THE GHRELIN RECEPTOR LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2018-06-07 — — 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-20180155395-A1 PEPTIDOMIMETICS FOR IMAGING THE GHRELIN RECEPTOR GHSR, GRPR, GHRHR PLG 1365/4885PRSS1 1778/4885PRSS2 2216/4885

“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.

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