SCHEMBL15328295

SCHEMBL15328295

Cc1cnc(NCC(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.41
OPRM1 P35372 4/20 0.41
HPGDS O60760 3/20 0.41
OPRK1 P41145 1/20 0.41
ACE P12821 2/20 0.39
KMT2A Q03164 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPY4R P50391 1/20 0.38
NPY5R Q15761 1/20 0.38
LHCGR P22888 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 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
SCHEMBL12470418 1.00 OPRD1 (0.41) OPRD1OPRM1HPGDSOPRK1ACE
SCHEMBL15328402 0.87 HPGDS (0.39) OPRD1OPRM1HPGDSOPRK1ACE
SCHEMBL15328405 0.87 HPGDS (0.39) OPRD1OPRM1HPGDSOPRK1ACE
SCHEMBL15328417 0.86 HPGDS (0.42) OPRD1OPRM1HPGDSOPRK1ACE
SCHEMBL15328425 0.86 HPGDS (0.42) OPRD1OPRM1HPGDSOPRK1ACE
SCHEMBL15328267 0.77 ACE (0.45) OPRD1OPRM1OPRK1ACEPTPN2
SCHEMBL15328270 0.77 ACE (0.45) OPRD1OPRM1OPRK1ACEPTPN2
SCHEMBL15328796 0.76 ACE (0.42) OPRD1OPRM1HPGDSOPRK1ACE
SCHEMBL15328788 0.76 ACE (0.42) OPRD1OPRM1HPGDSOPRK1ACE
SCHEMBL15328503 0.76 ACE (0.44) OPRD1OPRM1OPRK1ACEPTPN2

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 OPRD1 4530/4885OPRM1 4478/4885HPGDS 2022/4885

“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.