SCHEMBL15328504

SCHEMBL15328504

CC(NC(=O)CNc1ncc(CO)s1)C(=O)NC(C)C(=O)NC(Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.44
NPY5R Q15761 4/20 0.42
NPY1R P25929 3/20 0.42
NPY4R P50391 3/20 0.42
OPRD1 P41143 9/20 0.42
OPRM1 P35372 6/20 0.42
OPRK1 P41145 1/20 0.42
APC P25054 1/20 0.39
HRH1 P35367 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
NPY2R P49146 1/20 0.37

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
SCHEMBL15328503 1.00 ACE (0.44) ACENPY5RNPY1RNPY4ROPRD1
SCHEMBL15328270 0.99 ACE (0.45) ACENPY5RNPY1RNPY4ROPRD1
SCHEMBL15328267 0.99 ACE (0.45) ACENPY5RNPY1RNPY4ROPRD1
SCHEMBL15328483 0.93 OPRD1 (0.50) ACENPY5RNPY1RNPY4ROPRD1
SCHEMBL15328485 0.93 OPRD1 (0.50) ACENPY5RNPY1RNPY4ROPRD1
SCHEMBL15344184 0.92 OPRD1 (0.47) NPY5RNPY1RNPY4ROPRD1OPRM1
SCHEMBL17082288 0.92 OPRD1 (0.47) NPY5RNPY1RNPY4ROPRD1OPRM1
SCHEMBL17082284 0.92 OPRD1 (0.47) NPY5RNPY1RNPY4ROPRD1OPRM1
SCHEMBL15328402 0.87 HPGDS (0.39) ACENPY5RNPY1RNPY4ROPRD1
SCHEMBL15328405 0.87 HPGDS (0.39) ACENPY5RNPY1RNPY4ROPRD1

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-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
EP-2627662-B1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 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-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES PTMS, VIP, MTPN ACE 1283/4885NPY5R 523/4885NPY1R 942/4885

“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.