SCHEMBL90236

SCHEMBL90236

CCOC[C@@H](CC(C)C)NC(=O)[C@H]1C[C@@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.40
KCNH2 Q12809 5/20 0.37
NR1H2 P55055 1/20 0.36
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL89994 0.91 REN (0.41) RENKCNH2NR1H2GAAALOX15
SCHEMBL1911486 0.91 REN (0.41) RENKCNH2NR1H2GAAALOX15
SCHEMBL89314 0.91 NR1H2 (0.40) NR1H2GAAALOX15SMN1; SMN2MAPK1
SCHEMBL88882 0.88 NR1H2 (0.41) RENNR1H2GAAALOX15SMN1; SMN2
SCHEMBL21641579 0.83 NR1H2 (0.42) NR1H2
SCHEMBL89416 0.81 NR1H2 (0.41) NR1H2GAAALOX15SMN1; SMN2MAPK1
SCHEMBL89542 0.79 HSD17B10 (0.46) NR1H2GAASMN1; SMN2
SCHEMBL90388 0.79 HSD17B10 (0.46) NR1H2GAASMN1; SMN2
SCHEMBL89729 0.79 HSD17B10 (0.46) NR1H2GAASMN1; SMN2
SCHEMBL89070 0.78 NR1H2 (0.41) NR1H2GAAALOX15SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 REN 1/4885KCNH2 415/4885NR1H2 1327/4885
US-20080319018-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 REN 1/4885KCNH2 986/4885NR1H2 333/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 REN 1/4885KCNH2 986/4885NR1H2 333/4885

“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.