SCHEMBL20016488

SCHEMBL20016488

CNC(CCCCNC(C)C)C(=O)NC(CCCCNC(C)C)C(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.33
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ NMT2 O60551 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ FURIN P09958 1/20 0.31

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
SCHEMBL25132732 0.89 KDM4E (0.35) ITGB3ITGA2BKDM4EALDH1A1
SCHEMBL19062769 0.88 OPRK1 (0.33) OPRK1ITGB3ITGA2BNMT2NMT1
SCHEMBL24239548 0.88 OPRK1 (0.33) OPRK1ITGB3ITGA2BNMT2NMT1
SCHEMBL19700526 0.87 MMP3 (0.38) OPRK1ITGB3ITGA2BSIRT6SIRT1
SCHEMBL21902132 0.83 OPRK1 (0.31) OPRK1ITGB3ITGA2B
SCHEMBL21154982 0.83 ITGB3 (0.32) OPRK1ITGB3ITGA2B
SCHEMBL24220950 0.82 NMT2 (0.32) ITGB3ITGA2BNMT2NMT1
SCHEMBL18929779 0.81 OPRK1 (0.30) OPRK1
SCHEMBL24239560 0.79 KISS1R (0.36) OPRK1ITGB3ITGA2BKDM4EALDH1A1
SCHEMBL16248631 0.79 KDM4E (0.35) ITGB3ITGA2BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270609-A1 Single-Stranded RNAI Oligonucleotides Targeting APOC-III IONIS PHARMACEUTICALS, INC. (US) 2020-08-27 — — US disclosed
US-20200157548-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS IONIS PHARMACEUTICALS, INC. (US) 2020-05-21 — — US disclosed
US-20200056185-A1 COMPOSITIONS AND METHODS FOR MODULATING PKK EXPRESSION IONIS PHARMACEUTICALS, INC. (US) 2020-02-20 — — US disclosed
US-9932581-B2 Compositions and methods for modulating apolipoprotein C-III expression IONIS PHARMACEUTICALS, INC. (US) 2018-04-03 — — 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-20200157548-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS SI, FABP2, GNE OPRK1 843/4885ITGB3 278/4885ITGA2B 346/4885
US-20200270609-A1 Single-Stranded RNAI Oligonucleotides Targeting APOC-III APOB, APOL1, RBM3 OPRK1 2601/4885ITGB3 645/4885ITGA2B 1105/4885
US-20200056185-A1 COMPOSITIONS AND METHODS FOR MODULATING PKK EXPRESSION GCKR, PKM, PKLR OPRK1 444/4885ITGB3 2390/4885ITGA2B 2582/4885

“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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