SCHEMBL12202808

SCHEMBL12202808

CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.57
▸ GRIA1 P42261 1/20 0.51
▸ CASP1 P29466 1/20 0.50
▸ OPRM1 P35372 5/20 0.47
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL14345560 1.00 OPRD1 (0.57) OPRD1GRIA1CASP1OPRM1OPRK1
SCHEMBL14274753 0.89 OPRM1 (0.56) OPRD1OPRM1
SCHEMBL21880937 0.89 GRIA1 (0.59) OPRD1GRIA1OPRM1OPRK1
SCHEMBL30493746 0.89 GRIA1 (0.61) OPRD1GRIA1OPRM1OPRK1
SCHEMBL14366618 0.89 GRIA1 (0.55) OPRD1GRIA1
SCHEMBL14279285 0.89 GRIA1 (0.55) OPRD1GRIA1
SCHEMBL30493755 0.87 ACE (0.56) OPRD1GRIA1CASP1
SCHEMBL14345567 0.85 GRIA1 (0.53) OPRD1GRIA1OPRM1OPRK1
SCHEMBL14345510 0.82 GRIA1 (0.52) OPRD1GRIA1CASP1OPRM1OPRK1
SCHEMBL24310822 0.80 CASP1 (0.63) OPRD1GRIA1CASP1OPRM1OPRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034898-B2 Methods of collagen imaging Collagen Medical, LLC (US) 2011-10-11 — — US disclosed
US-8034898-B2 Methods of collagen imaging Collagen Medical, LLC (US) 2011-10-11 — — US disclosed
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. 2008-03-06 — — US disclosed
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. 2008-03-06 — — US disclosed
US-20080044360-A1 METHODS OF COLLAGEN IMAGING EPIX PHARMACEUTICALS, INC. 2008-02-21 — — US disclosed
US-20070293656-A1 COLLAGEN BINDING PEPTIDES EPIX PHARMACEUTICALS, INC. 2007-12-20 — — 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 (3 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-20080058636-A1 METHODS OF MYOCARDIAL IMAGING FABP3, TNNI3, TNNT2 OPRD1 4369/4885GRIA1 4457/4885CASP1 3369/4885
US-20080044360-A1 METHODS OF COLLAGEN IMAGING COL14A1, COL2A1, COL1A1 OPRD1 4516/4885GRIA1 3889/4885CASP1 1749/4885
US-20070293656-A1 COLLAGEN BINDING PEPTIDES COL14A1, COL2A1, COL1A1 OPRD1 4183/4885GRIA1 3653/4885CASP1 1905/4885

“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.

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