SCHEMBL10074581

SCHEMBL10074581

CC(C)C[C@@H](NC(=O)[C@@H](CCC(=O)O)N1CCC(NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CCCCNC(=N)N)[C@@H](C)O)C1=O)C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 15/20 0.55
NPY1R P25929 9/20 0.55
NPY5R Q15761 8/20 0.55
NPY2R P49146 5/20 0.55
KEAP1 Q14145 2/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL13188090 1.00 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL10075446 0.89 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13188643 0.88 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL13188046 0.88 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL2632395 0.86 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13188139 0.86 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL10075166 0.86 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL2623540 0.84 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL2623546 0.84 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL2632393 0.83 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RKEAP1

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-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS UNIVERSITE DE MONTREAL (CA) 2012-04-26 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-20120101257-A1 PROCESSES FOR PREPARING AMINO-SUBSTITUTED GAMMA-LACTAMS QPCT, GLUL, ASNS NPY4R 2134/4885NPY1R 2063/4885NPY5R 1571/4885

“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.