SCHEMBL236544

SCHEMBL236544

C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.64
OPRM1 P35372 6/20 0.64
OPRK1 P41145 1/20 0.64
CTSS P25774 3/20 0.58
CTSK P43235 2/20 0.58
ACE P12821 1/20 0.58
CCKBR P32239 3/20 0.57
CCKAR P32238 3/20 0.57
ATM Q13315 1/20 0.55
KMT2A Q03164 1/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55

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
SCHEMBL236543 1.00 OPRD1 (0.64) OPRD1OPRM1OPRK1CTSSCTSK
SCHEMBL11525133 0.91 CTSS (0.64) OPRD1OPRM1OPRK1CTSSCTSK
SCHEMBL11525136 0.91 CTSS (0.64) OPRD1OPRM1OPRK1CTSSCTSK
SCHEMBL11523721 0.91 CTSS (0.64) OPRD1OPRM1OPRK1CTSSCTSK
SCHEMBL11684956 0.88 REN (0.60) CTSSCTSKCTSLCTSB
SCHEMBL11681799 0.88 REN (0.57) OPRD1OPRM1OPRK1CTSSCTSK
SCHEMBL9819589 0.88 CTSS (0.59) OPRD1OPRM1OPRK1CTSSCTSK
SCHEMBL8580174 0.87 REN (0.60) OPRD1OPRM1OPRK1CTSSCTSK
SCHEMBL4018237 0.87 CTSS (0.66) OPRD1OPRM1OPRK1CTSSCTSK
SCHEMBL11683746 0.87 CTSS (0.66) OPRD1OPRM1OPRK1CTSSCTSK

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-8877891-B2 Method of producing a novel opioid peptide LIPKOWSKI ANDREJ (PL) 2014-11-04 US disclosed
EP-2384334-B1 A METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE ACTION FOR DEV OF RESARCH SP Z O O (PL) 2013-02-27 EP disclosed
US-20120004180-A1 METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE LIPKOWSKI ANDREJ (PL) 2012-01-05 US disclosed
EP-2384334-A1 A METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE Action For Development Of Resarch SP.Z.O.O. (PL) 2011-11-09 EP disclosed
WO-2010077154-A1 A METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE ACTION FOR DEVELOPMENT OF RESARCH SP.Z.O.O. (PL) 2010-07-08 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-20120004180-A1 METHOD OF PRODUCING A NOVEL OPIOID PEPTIDE OPRL1, OPRK1, OGFR OPRD1 5/4885OPRM1 4/4885OPRK1 2/4885

“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.