SCHEMBL20534072

SCHEMBL20534072

CCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 2/20 0.67
▸ GRPR P30550 2/20 0.67
▸ CALCR P30988 4/20 0.66
▸ GLP1R P43220 10/20 0.65
▸ GCGR P47871 7/20 0.65
▸ CCKBR P32239 2/20 0.64
▸ GIPR P48546 4/20 0.61
▸ CXCR4 P61073 1/20 0.61
▸ NPY1R P25929 1/20 0.61
▸ NPY2R P49146 1/20 0.61
▸ NPY4R P50391 1/20 0.61
▸ NPY5R Q15761 1/20 0.61
▸ CALCA P06881 1/20 0.61

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
SCHEMBL29020839 1.00 NMBR (0.67) NMBRGRPRCALCRGLP1RGCGR
Acetic Acid SCHEMBL29378226 0.99 NMBR (0.66) NMBRGRPRCALCRGLP1RGCGR
SCHEMBL25311922 0.99 NMBR (0.65) NMBRGRPRCALCRGLP1RGCGR
SCHEMBL31359434 0.96 CALCR (0.71) NMBRGRPRCALCRGLP1RGCGR
SCHEMBL29588042 0.94 CALCR (0.65) NMBRGRPRCALCRGLP1RGCGR
SCHEMBL29588160 0.94 CALCR (0.66) NMBRGRPRCALCRGLP1RGCGR
SCHEMBL20534064 0.94 CXCR4 (0.69) GLP1RGCGRGIPRCXCR4NPY1R
SCHEMBL29020816 0.94 CXCR4 (0.69) GLP1RGCGRGIPRCXCR4NPY1R
SCHEMBL29587876 0.94 CALCR (0.65) NMBRGRPRCALCRGLP1RGCGR
SCHEMBL29588702 0.93 CALCR (0.64) NMBRGRPRCALCRGLP1RGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4098273-A1 COMBINATION THERAPY OF HBV AND HDV INFECTION Myr GmbH (DE) 2022-12-07 — — EP claimed
EP-3204030-B1 COMBINATION THERAPY OF HBV AND HDV INFECTION MYR GMBH (DE) 2022-04-27 — — EP claimed
US-20220040178-A1 COMBINATION THERAPY OF HBV AND HDV INFECTION MYR GMBH (DE) 2022-02-10 — — US claimed
US-20250345389-A1 COMBINATION THERAPIES GILEAD SCIENCES INC (US) 2025-11-13 — — US disclosed
EP-4098273-A1 COMBINATION THERAPY OF HBV AND HDV INFECTION Myr GmbH (DE) 2022-12-07 — — EP disclosed
EP-3204030-B1 COMBINATION THERAPY OF HBV AND HDV INFECTION MYR GMBH (DE) 2022-04-27 — — EP disclosed
US-20220040178-A1 COMBINATION THERAPY OF HBV AND HDV INFECTION MYR GMBH (DE) 2022-02-10 — — US disclosed
US-20210196786-A1 THERAPY OF ATHEROSCLEROSIS, PRIMARY BILIARY CIRRHOSIS AND NRLP3 INFLAMMASOME-ASSOCIATED DISEASE BY HTCP INHIBITORS MYR GMBH (DE) 2021-07-01 — — US disclosed
US-10925925-B2 Therapy of atherosclerosis, primary biliary cirrhosis and NRLP3 inflammasome-associated disease by HTCP inhibitors MYR GMBH (DE) 2021-02-23 — — US disclosed
EP-3392267-A1 THERAPY OF ATHEROSCLEROSIS, PRIMARY BILIARY CIRRHOSIS AND NRLP3 INFLAMMASOME-ASSOCIATED DISEASE BY HTCP INHIBITORS Myr GmbH (DE) 2018-10-24 — — EP disclosed
US-20180296634-A1 THERAPY OF ATHEROSCLEROSIS, PRIMARY BILIARY CIRRHOSIS AND NRLP3 INFLAMMASOME-ASSOCIATED DISEASE BY HTCP INHIBITORS MYR GMBH (DE) 2018-10-18 — — 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-20180296634-A1 THERAPY OF ATHEROSCLEROSIS, PRIMARY BILIARY CIRRHOSIS AND NRLP3 INFLAMMASOME-ASSOCIATED DISEASE BY HTCP INHIBITORS SLC10A1, NR1H4, SLC10A2 NMBR 275/4885GRPR 520/4885CALCR 326/4885
US-20210196786-A1 THERAPY OF ATHEROSCLEROSIS, PRIMARY BILIARY CIRRHOSIS AND NRLP3 INFLAMMASOME-ASSOCIATED DISEASE BY HTCP INHIBITORS SLC10A1, NR1H4, SLC10A2 NMBR 275/4885GRPR 520/4885CALCR 326/4885
US-10925925-B2 Therapy of atherosclerosis, primary biliary cirrhosis and NRLP3 inflammasome-associated disease by HTCP inhibitors SLC10A1, NR1H4, SLC10A2 NMBR 275/4885GRPR 520/4885CALCR 326/4885

“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.

Send feedback