SCHEMBL5963627

SCHEMBL5963627

CCOC(=O)[C@H](CCc1ccccc1)NC(=O)C1(NC(=O)[C@@H](SC(C)=O)C2CCOCC2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.43
DGAT1 O75907 2/20 0.42
LMNA P02545 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL5970470 0.87 TACR2 (0.45) TACR2DGAT1
SCHEMBL5963587 0.87 TACR2 (0.44) TACR2DGAT1LMNAACE
SCHEMBL5963487 0.85 TACR2 (0.45) TACR2
SCHEMBL5963481 0.82 MAPT (0.45) LMNAACE
SCHEMBL5963738 0.81 ACE (0.40) LMNAACE
SCHEMBL5963174 0.79 DGAT1 (0.43) TACR2DGAT1LMNAACE
SCHEMBL5963231 0.79 MME (0.45) TACR2DGAT1ACE
SCHEMBL5963237 0.79 MME (0.45) TACR2DGAT1ACE
SCHEMBL5963186 0.75 CTSB (0.57) DGAT1LMNAACE
SCHEMBL5963727 0.75 ITGB2 (0.48) ACE

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-1430045-B1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS NOVARTIS AG (CH) 2006-10-11 EP disclosed
US-20060194742-A1 Pyrane derivatives as both ACE- and NEP-inhibitors FINK CYNTHIA A 2006-08-31 US disclosed
US-7071169-B2 Pyrane derivatives as both ACE-and NEP-inhibitors NOVARTIS AG (CH) 2006-07-04 US disclosed
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors FINK CYNTHIA ANNE (US) 2004-12-30 US disclosed
EP-1430045-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS Novartis AG (CH) 2004-06-23 EP disclosed
WO-2003027091-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP- INHIBITORS NOVARTIS AG (CH) 2003-04-03 WO disclosed
WO-2003027091-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP- INHIBITORS NOVARTIS AG (CH) 2003-04-03 WO 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 (2 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-20060194742-A1 Pyrane derivatives as both ACE- and NEP-inhibitors ECE1, ECE2, AGTR1 TACR2 183/4885DGAT1 4395/4885LMNA 1277/4885
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors ECE1, AGTR1, ACE TACR2 622/4885DGAT1 3165/4885LMNA 1122/4885

“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.