SCHEMBL16453450

SCHEMBL16453450

COC(=O)C(CCCCN)NC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.39
▸ TLR2 O60603 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ERAP2 Q6P179 5/20 0.34
▸ LNPEP Q9UIQ6 4/20 0.34
▸ ERAP1 Q9NZ08 2/20 0.34
▸ GHSR Q92847 1/20 0.34
▸ CCKAR P32238 1/20 0.33
▸ CCKBR P32239 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
SCHEMBL20067682 0.81 CNR2 (0.33) CNR2ERAP2LNPEPERAP1GHSR
SCHEMBL24722847 0.81 GLP1R (0.48) GLP1RTLR2CCKARCCKBR
SCHEMBL12892953 0.79 ROCK2 (0.44) GLP1RTLR2
SCHEMBL13783677 0.79 GLP1R (0.41) GLP1RCCKARCCKBR
SCHEMBL10054212 0.79 GLP1R (0.39) GLP1RTLR2CCKARCCKBR
SCHEMBL10054210 0.79 GLP1R (0.39) GLP1RTLR2CCKARCCKBR
SCHEMBL15096515 0.78 CNR2 (0.45) CNR2
SCHEMBL22807658 0.78 GLP1R (0.43) GLP1R
SCHEMBL13553377 0.78 ERAP2 (0.37) GLP1RTLR2CNR2ERAP2LNPEP
SCHEMBL22140639 0.77 MGLL (0.47) —

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-20150045428-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF INVICTUS ONCOLOGY PVT. LTD. (IN) 2015-02-12 — — 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-20150045428-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF HLCS, PAICS, CLTC GLP1R 2357/4885TLR2 250/4885CNR2 2343/4885

“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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