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Sugi Predict / Compounds / SCHEMBL13613775

SCHEMBL13613775

SCHEMBL13613775

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N[C@@H](CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN)[C@@H](C)O)CCN(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2C=NC=N2)C(=O)N[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C)C(=O)[C@H](CC(C)C)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 2/20 0.54
▸ GALR1 P47211 2/20 0.54
▸ KISS1R Q969F8 3/20 0.45
▸ NPY2R P49146 2/20 0.44
▸ PCSK9 Q8NBP7 1/20 0.44
▸ GLP1R P43220 8/20 0.43
▸ GIPR P48546 8/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY4R P50391 1/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ CALCA P06881 1/20 0.43
▸ EED O75530 1/20 0.43

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
SCHEMBL13613776 1.00 GALR2 (0.54) GALR2GALR1KISS1RNPY2RPCSK9
SCHEMBL13613774 0.85 GALR2 (0.59) GALR2GALR1GLP1RGIPRCALCA
SCHEMBL29454204 0.75 NPY1R (0.61) NPY2RGLP1RGIPRNPY1RNPY4R
SCHEMBL30429448 0.73 GALR2 (0.62) GALR2GALR1KISS1RGLP1RGIPR
SCHEMBL30429667 0.73 NMBR (0.60) GALR2GALR1KISS1RNPY2RGLP1R
SCHEMBL30429251 0.72 CALCA (0.62) GALR2GALR1NPY2RGLP1RNPY1R
SCHEMBL29992945 0.72 CALCA (0.59) GALR2GALR1KISS1RNPY2RNPY1R
Galantide SCHEMBL31332196 0.71 IL23R (0.62) GALR2GALR1GLP1RGIPR
SCHEMBL31061583 0.71 GALR2 (0.65) GALR2GALR1GLP1RGIPR
SCHEMBL29973367 0.70 CXCL8 (0.62) GALR2GALR1GLP1RGIPR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 — — US disclosed
US-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 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-20090275727-A1 Peptide turn mimetics IAPP, GLP1R, VIP GALR2 1737/4885GALR1 1017/4885KISS1R 474/4885

“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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