SCHEMBL12470802

SCHEMBL12470802

CC(N)C(=O)NC(C)C(=O)NC(Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.57
NPY4R P50391 6/20 0.52
NPY5R Q15761 5/20 0.52
NPY1R P25929 4/20 0.52
OPRD1 P41143 5/20 0.50
OPRM1 P35372 4/20 0.50
OPRK1 P41145 1/20 0.50
NPY2R P49146 2/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
LNPEP Q9UIQ6 1/20 0.48
MME P08473 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL12470794 1.00 ACE (0.57) ACENPY4RNPY5RNPY1ROPRD1
SCHEMBL15328426 0.94 ACE (0.62) ACENPY4RNPY5RNPY1RNPY2R
SCHEMBL15328423 0.94 ACE (0.62) ACENPY4RNPY5RNPY1RNPY2R
SCHEMBL30445690 0.89 MME (0.60) ACEOPRD1OPRM1OPRK1MME
SCHEMBL2549533 0.89 MME (0.60) ACEOPRD1OPRM1OPRK1MME
SCHEMBL29655902 0.88 CTRB1 (0.57) ACEOPRD1OPRM1OPRK1ERAP2
SCHEMBL17074558 0.87 NPY5R (0.55) ACENPY4RNPY5RNPY1ROPRD1
SCHEMBL17074565 0.87 NPY5R (0.55) ACENPY4RNPY5RNPY1ROPRD1
SCHEMBL15044546 0.84 ACE (0.63) ACENPY4RNPY5RNPY1RNPY2R
Casokefamide SCHEMBL1373200 0.84 OPRD1 (0.69) OPRD1OPRM1OPRK1

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 5 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
EP-2627662-A1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES Bristol-Myers Squibb Company (US) 2013-08-21 EP disclosed
WO-2012051405-A1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-19 WO 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 1283/4885NPY4R 474/4885NPY5R 523/4885

“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.