SCHEMBL15328280

SCHEMBL15328280

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)O)C(=O)NCC(=O)N[C@@H](CNC(=O)CNc1ncc(CO)s1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.50
OPRM1 P35372 8/20 0.50
OPRK1 P41145 2/20 0.50
APC P25054 3/20 0.47
CCKBR P32239 1/20 0.42

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
SCHEMBL15328485 0.91 OPRD1 (0.50) OPRD1OPRM1OPRK1APC
SCHEMBL15328483 0.91 OPRD1 (0.50) OPRD1OPRM1OPRK1APC
SCHEMBL15328393 0.90 OPRD1 (0.49) OPRD1OPRM1OPRK1APCCCKBR
SCHEMBL15344090 0.88 PTPN1 (0.46) OPRD1OPRM1OPRK1APC
SCHEMBL15328503 0.85 ACE (0.44) OPRD1OPRM1OPRK1APC
SCHEMBL15328504 0.85 ACE (0.44) OPRD1OPRM1OPRK1APC
SCHEMBL17082288 0.85 OPRD1 (0.47) OPRD1OPRM1OPRK1APC
SCHEMBL15344184 0.85 OPRD1 (0.47) OPRD1OPRM1OPRK1APC
SCHEMBL17082284 0.85 OPRD1 (0.47) OPRD1OPRM1OPRK1APC
SCHEMBL15328267 0.84 ACE (0.45) OPRD1OPRM1OPRK1APC

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 2 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
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.