SCHEMBL1372552

SCHEMBL1372552

C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC[C]=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.56
OPRM1 P35372 6/20 0.56
OPRK1 P41145 1/20 0.56
CCKAR P32238 3/20 0.49
CCKBR P32239 3/20 0.49
BACE1 P56817 1/20 0.48
BACE2 Q9Y5Z0 1/20 0.48

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
SCHEMBL2182117 0.89 OPRD1 (0.64) OPRD1OPRM1OPRK1
SCHEMBL11568629 0.88 BACE1 (0.55) OPRD1OPRM1OPRK1BACE1BACE2
SCHEMBL1374934 0.86 OPRD1 (0.59) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL14706288 0.84 NAALAD2 (0.54) OPRD1OPRM1OPRK1
SCHEMBL29658003 0.84 OPRD1 (0.52) OPRD1OPRM1OPRK1BACE1BACE2
SCHEMBL16621773 0.83 NAALAD2 (0.53) OPRD1OPRM1OPRK1
SCHEMBL29538675 0.83 NAALAD2 (0.66)
SCHEMBL11886066 0.83 NAALAD2 (0.66)
SCHEMBL6378283 0.83 NAALAD2 (0.66)
SCHEMBL2195747 0.82 IL1RN (0.56) OPRD1OPRM1OPRK1BACE1BACE2

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-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2016-09-15 US disclosed
US-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2011-11-24 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 (2 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-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 OPRD1 4036/4885OPRM1 3822/4885OPRK1 3911/4885
US-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 OPRD1 4036/4885OPRM1 3822/4885OPRK1 3911/4885

“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.