SCHEMBL15328632

SCHEMBL15328632

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.55
OPRM1 P35372 6/20 0.55
OPRK1 P41145 1/20 0.55
CTSL P07711 1/20 0.50
MME P08473 2/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
GRIA1 P42261 1/20 0.47
FOLH1 Q04609 1/20 0.47
CHRND Q07001 2/20 0.46

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
SCHEMBL29531333 1.00 OPRD1 (0.55) OPRD1OPRM1OPRK1CTSLMME
SCHEMBL15328626 1.00 OPRD1 (0.55) OPRD1OPRM1OPRK1CTSLMME
SCHEMBL1374034 0.92 NAALAD2 (0.52) OPRD1OPRM1OPRK1
SCHEMBL1370956 0.92 NAALAD2 (0.52) OPRD1OPRM1OPRK1
SCHEMBL1370963 0.90 OPRD1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL1374043 0.90 OPRD1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL7588968 0.89 CTRB1 (0.57) OPRD1OPRM1OPRK1CTSLMME
SCHEMBL2544516 0.89 CTRB1 (0.57) OPRD1OPRM1OPRK1CTSLMME
SCHEMBL29406594 0.89 OPRD1 (0.52) OPRD1OPRM1OPRK1CTSLMME
SCHEMBL29351019 0.88 OPRD1 (0.61) 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 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 4478/4885OPRK1 4371/4885

“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.