SCHEMBL2189862

SCHEMBL2189862

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.55
▸ OPRD1 P41143 2/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ TACR3 P29371 2/20 0.52
▸ KEAP1 Q14145 2/20 0.51
▸ GRPR P30550 1/20 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
SCHEMBL29569383 0.92 OPRM1 (0.57) OPRM1OPRD1OPRK1GRPR
SCHEMBL29406603 0.88 CTSB (0.54) OPRM1OPRD1OPRK1TACR3
Neurokinin B SCHEMBL29440672 0.83 GRPR (0.59) GRPR
Neurokinin B SCHEMBL29390479 0.83 GRPR (0.59) GRPR
SCHEMBL29678561 0.83 CCKAR (0.51) OPRM1OPRD1OPRK1
SCHEMBL30436893 0.83 BACE1 (0.57) OPRM1OPRD1
Neurokinin B SCHEMBL29372314 0.83 GRPR (0.53) KEAP1GRPR
SCHEMBL30974266 0.83 TFPI (0.55) OPRM1OPRD1OPRK1
SCHEMBL31230203 0.82 OPRM1 (0.60) OPRM1OPRD1OPRK1
SCHEMBL31257071 0.82 OPRM1 (0.62) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2019-03-07 — — US disclosed
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-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 — — US disclosed
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE NEKTAR THERAPEUTICS (US) 2011-07-14 — — 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 OPRM1 2317/4885OPRD1 3100/4885OPRK1 2737/4885
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST OPRM1 3352/4885OPRD1 3859/4885OPRK1 3229/4885
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST OPRM1 3352/4885OPRD1 3859/4885OPRK1 3229/4885
US-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP OPRM1 2317/4885OPRD1 3100/4885OPRK1 2737/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS OPRM1 1535/4885OPRD1 2871/4885OPRK1 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.

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