SCHEMBL5963487

SCHEMBL5963487

CCOC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(NC(=O)[C@@H](SC(C)=O)C2CCOCC2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 16/20 0.45
MMP1 P03956 3/20 0.39

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
SCHEMBL5963627 0.85 TACR2 (0.43) TACR2
SCHEMBL6440565 0.82 MMP1 (0.43) TACR2MMP1
SCHEMBL8051789 0.82 MMP1 (0.43) TACR2MMP1
SCHEMBL5963437 0.82 ALDH1A1 (0.38) MMP1
SCHEMBL5963481 0.81 MAPT (0.45)
SCHEMBL5963129 0.79 TACR2 (0.50) TACR2
SCHEMBL6828517 0.76 ACACB (0.39) TACR2
SCHEMBL8067899 0.76 MMP1 (0.41) TACR2MMP1
SCHEMBL8063643 0.74 HTRA1 (0.46) MMP1
SCHEMBL8061343 0.74 ECE1 (0.43)

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 6 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

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 183/4885MMP1 1603/4885
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors ECE1, AGTR1, ACE TACR2 622/4885MMP1 769/4885

“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.