SCHEMBL2195454

SCHEMBL2195454

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.55
▸ OPRK1 P41145 1/20 0.54
▸ F2 P00734 1/20 0.53
▸ REN P00797 1/20 0.53
▸ NTSR2 O95665 3/20 0.52
▸ NTSR1 P30989 3/20 0.52
▸ SORT1 Q99523 3/20 0.52
▸ PSMB9 P28065 1/20 0.52
▸ ACE P12821 2/20 0.52

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
Thymoctonan SCHEMBL15532000 0.93 REN (0.52) OPRD1OPRK1F2RENNTSR2
Thymoctonan SCHEMBL1230532 0.93 REN (0.52) OPRD1OPRK1F2RENNTSR2
SCHEMBL30259604 0.93 REN (0.53) OPRD1OPRK1F2RENNTSR2
SCHEMBL30011888 0.91 OPRM1 (0.55) OPRK1REN
SCHEMBL20769314 0.88 ACE (0.58) OPRK1F2RENNTSR2NTSR1
SCHEMBL20769315 0.88 ACE (0.58) OPRK1F2RENNTSR2NTSR1
SCHEMBL20769313 0.88 ACE (0.58) OPRK1F2RENNTSR2NTSR1
SCHEMBL29666135 0.87 OPRK1 (0.58) OPRD1OPRK1REN
SCHEMBL17456231 0.86 REN (0.51) OPRD1OPRK1RENACE
SCHEMBL31323239 0.86 CALCRL (0.56) OPRD1F2PSMB9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4129318-A1 PROTEIN-BASED PHARMACEUTICAL COMPOSITION WITH NEUROPROTECTIVE, IMMUNOMODULATING, ANTI-INFLAMMATORY AND ANTIMICROBIAL ACTIVITY Centro Nacional de Biopreparados (CU) 2023-02-08 — — EP disclosed
CN-115209908-A Protein-based pharmaceutical compositions with neuroprotective, immunomodulatory, anti-inflammatory and antimicrobial activities 国家生物医学中心 2022-10-18 — — CN 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-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 (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-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP OPRD1 3100/4885OPRK1 2737/4885F2 2099/4885
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST OPRD1 3859/4885OPRK1 3229/4885F2 3457/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS OPRD1 2871/4885OPRK1 2169/4885F2 1847/4885

“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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