SCHEMBL89994

SCHEMBL89994

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.41
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 1/20 0.37
NR1H2 P55055 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1911486 1.00 REN (0.41) RENKCNH2MAPK1NR1H2KMT2A
SCHEMBL90236 0.91 REN (0.40) RENKCNH2MAPK1NR1H2GAA
SCHEMBL89416 0.90 NR1H2 (0.41) MAPK1NR1H2KMT2AGAAALOX15
SCHEMBL89070 0.87 NR1H2 (0.41) MAPK1NR1H2KMT2AGAAALOX15
SCHEMBL21641579 0.83 NR1H2 (0.42) NR1H2KMT2A
SCHEMBL89314 0.81 NR1H2 (0.40) MAPK1NR1H2KMT2AGAAALOX15
SCHEMBL90387 0.78 HSD17B10 (0.47) NR1H2KMT2ASMN1; SMN2
SCHEMBL89075 0.78 HSD17B10 (0.47) NR1H2KMT2ASMN1; SMN2
SCHEMBL90735 0.78 HSD17B10 (0.47) NR1H2KMT2ASMN1; SMN2
SCHEMBL88882 0.78 NR1H2 (0.41) RENMAPK1NR1H2KMT2AGAA

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
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
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 415/4885MAPK1 3191/4885
US-20080319018-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 REN 1/4885KCNH2 986/4885MAPK1 3365/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 REN 1/4885KCNH2 986/4885MAPK1 3365/4885

“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.