SCHEMBL10138947

SCHEMBL10138947

CC(C)C[C@@H]1CC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)CCCCC[C@H](CC(=O)[C@@H](NC(=O)[C@@H](CC(=O)CNC(=O)CCC(=O)CNCc3ccccc3)Cc3ccccc3)C(C)O)C(=O)N[C@@H](C)C(=O)C[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2)CCCCNC(=O)C[C@@H](C(N)=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.39
NPY2R P49146 2/20 0.39
NPY4R P50391 2/20 0.39
NPY5R Q15761 2/20 0.39
BECN1 Q14457 6/20 0.37
KRAS P01116 4/20 0.36
FURIN P09958 1/20 0.36
F11 P03951 1/20 0.35
F12 P00748 2/20 0.35
MLLT3 P42568 1/20 0.35
TERF2IP Q9NYB0 2/20 0.35

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
SCHEMBL10138953 0.94 NPY1R (0.41) NPY1RNPY2RNPY4RNPY5RBECN1
SCHEMBL10138943 0.86 SIRT2 (0.42) NPY1RNPY2RNPY4RNPY5R
SCHEMBL16480284 0.78 TERF2IP (0.49) NPY1RNPY2RNPY4RNPY5RBECN1
SCHEMBL14028877 0.77 BECN1 (0.44) NPY1RNPY2RNPY4RNPY5RBECN1
SCHEMBL16480282 0.74 TERF2IP (0.50) NPY1RNPY2RNPY4RNPY5RBECN1
SCHEMBL14028880 0.73 TERF2IP (0.46) NPY1RNPY2RNPY4RNPY5RBECN1
SCHEMBL14028885 0.73 TERF2IP (0.45) NPY1RNPY2RNPY4RNPY5RBECN1
SCHEMBL16480283 0.72 SIRT2 (0.45) NPY1RNPY2RNPY4RNPY5RTERF2IP
SCHEMBL23351287 0.61 NPY1R (0.53) NPY1RNPY2RNPY4RNPY5RBECN1
SCHEMBL19473905 0.60 TSLP (0.43) KRASFURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629241-B2 Alpha helical mimics, their uses and methods for their production THE UNIVERSITY OF QUEENSLAND (AU) 2014-01-14 US disclosed
US-20120238507-A1 ALPHA HELICAL MIMICS, THEIR USES AND METHODS FOR THEIR PRODUCTION THE UNIVERSITY OF QUEENSLAND (AU) 2012-09-20 US disclosed
US-8193310-B2 Short chain peptide; conformation scaffolds; diecting amino acids into positions; controlling apoptosis; tumor suppression; alcoholism; drug abuse; antiepileptic agents THE UNIVERSITY OF QUEENSLAND (AU) 2012-06-05 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-20120238507-A1 ALPHA HELICAL MIMICS, THEIR USES AND METHODS FOR THEIR PRODUCTION CRYAA, PTMA, HIRA NPY1R 649/4885NPY2R 1127/4885NPY4R 2011/4885

“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.