SCHEMBL90567

SCHEMBL90567

CCOC[C@@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CAPN1 P07384 1/20 0.46
CTSL P07711 2/20 0.46
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CYP2D6 P10635 1/20 0.40
TP53 P04637 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
SCHEMBL90106 0.85 CA1 (0.45) AAK1CA1CA2CA7CAPN1
SCHEMBL89642 0.85 CA1 (0.45) AAK1CA1CA2CA7CAPN1
SCHEMBL19227630 0.85 CA1 (0.58) AAK1CA1CA2CA7CAPN1
SCHEMBL1989347 0.84 CA1 (0.42) CA1CA2CA7CTSKCTSS
SCHEMBL14923598 0.84 AAK1 (0.53) AAK1CA1CA2CA7CAPN1
SCHEMBL14175255 0.84 AAK1 (0.53) AAK1CA1CA2CA7CAPN1
SCHEMBL1989346 0.84 CA1 (0.42) CA1CA2CA7CTSKCTSS
SCHEMBL3375872 0.84 AAK1 (0.53) AAK1CA1CA2CA7CAPN1
SCHEMBL5262474 0.83 CA1 (0.53) AAK1CA1CA2CA7CAPN1
SCHEMBL15250454 0.83 CA1 (0.53) AAK1CA1CA2CA7CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2527338-B1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL) -3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2015-05-06 EP disclosed
EP-2181105-B1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL)-3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2015-04-29 EP disclosed
US-8497286-B2 Organic compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20130005770-A1 ORGANIC COMPOUNDS NOVARTIS AG 2013-01-03 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2009000811-A1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL)-3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2008-12-31 WO disclosed
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 US disclosed
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 AAK1 3567/4885CA1 2037/4885CA2 562/4885
US-20080319018-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 AAK1 4504/4885CA1 1553/4885CA2 458/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 AAK1 4504/4885CA1 1553/4885CA2 458/4885

“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.