SCHEMBL30789083

SCHEMBL30789083

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.62
▸ KISS1R Q969F8 11/20 0.58
▸ NPBWR1 P48145 2/20 0.58
▸ IL1RN P18510 6/20 0.57
▸ ERAP1 Q9NZ08 3/20 0.57

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
SCHEMBL31018948 0.94 ERAP2 (0.66) ERAP2KISS1RNPBWR1IL1RNERAP1
SCHEMBL18862075 0.90 NPBWR1 (0.60) ERAP2NPBWR1
SCHEMBL30065757 0.89 ERAP2 (0.65) ERAP2KISS1RNPBWR1IL1RNERAP1
SCHEMBL31031505 0.88 ERAP2 (0.59) ERAP2KISS1RNPBWR1IL1RNERAP1
SCHEMBL30839328 0.88 ERAP2 (0.73) ERAP2IL1RNERAP1
SCHEMBL29354013 0.88 ERAP2 (0.76) ERAP2IL1RNERAP1
SCHEMBL20764526 0.87 ERAP2 (0.70) ERAP2KISS1RIL1RNERAP1
SCHEMBL9842926 0.85 ERAP2 (0.68) ERAP2KISS1RIL1RNERAP1
SCHEMBL31247322 0.85 ERAP2 (0.66) ERAP2KISS1RIL1RNERAP1
SCHEMBL29987530 0.85 ECE1 (0.64) ERAP2IL1RNERAP1

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-20240091318-A1 COMBINATION THERAPY COMPRISING LONG ACTING GLP-1/GLUCAGON AND NPY2 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-03-21 — — 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-20240091318-A1 COMBINATION THERAPY COMPRISING LONG ACTING GLP-1/GLUCAGON AND NPY2 RECEPTOR AGONISTS GLP1R, NPY4R, NPY2R ERAP2 1407/4885KISS1R 166/4885NPBWR1 80/4885

“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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