SCHEMBL2182117

SCHEMBL2182117

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.64
OPRM1 P35372 6/20 0.64
OPRK1 P41145 1/20 0.64
SLC7A5 Q01650 1/20 0.51
YARS1 P54577 2/20 0.50

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
SCHEMBL1372552 0.89 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL8975673 0.89 SLC7A5 (0.60) OPRD1OPRM1OPRK1SLC7A5YARS1
SCHEMBL8975669 0.89 SLC7A5 (0.60) OPRD1OPRM1OPRK1SLC7A5YARS1
SCHEMBL10974111 0.89 SLC7A5 (0.60) OPRD1OPRM1OPRK1SLC7A5YARS1
SCHEMBL11406587 0.87 OPRD1 (0.50) OPRD1OPRM1OPRK1SLC7A5YARS1
SCHEMBL8673162 0.87 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL8673006 0.87 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL9724057 0.87 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL10716732 0.85 OPRD1 (0.61) OPRD1OPRM1OPRK1SLC7A5YARS1
SCHEMBL10621141 0.85 OPRD1 (0.61) OPRD1OPRM1OPRK1SLC7A5YARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001684-B1 TETRAPEPTIDES, METHODS FOR THEIR PREPARATION AND THEIR USE IN ANALGESIC COMPOSITIONS ELI LILLY AND COMPANY (US) 1981-09-02 EP claimed
US-9682153-B2 Polymer conjugates of therapeutic peptides NEKTAR THERAPEUTICS (US) 2017-06-20 US disclosed
US-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2016-01-28 US disclosed
US-9173951-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2015-11-03 US disclosed
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2015-02-19 US disclosed
US-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE NEKTAR THERAPEUTICS (US) 2011-07-14 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 US disclosed
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 US disclosed
US-6740639-B1 L-TYROSYL-D-ALANYL-GLYCYL-N-METHYLPHENYLALANYL-GLYCYL -ISOPROPYLAMIDE AND CYCLODEXTRIN DERIVATIVES; ANALGESIC, ANTIINFLAMMATORY, NONADDICTIVE PROPERTIES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2004-05-25 US disclosed
EP-0030847-A2 Pharmacologically active peptides, their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1981-06-24 EP disclosed
US-4261883-A OLIGOPEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1981-04-14 US disclosed
US-4261883-A OLIGOPEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1981-04-14 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 (5 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-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP OPRD1 3100/4885OPRM1 2317/4885OPRK1 2737/4885
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST OPRD1 3859/4885OPRM1 3352/4885OPRK1 3229/4885
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST OPRD1 3859/4885OPRM1 3352/4885OPRK1 3229/4885
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP OPRD1 3100/4885OPRM1 2317/4885OPRK1 2737/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS OPRD1 2871/4885OPRM1 1535/4885OPRK1 2169/4885

“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.