SCHEMBL88882

SCHEMBL88882

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
MAPK1 P28482 2/20 0.36
PDE4B Q07343 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F2R P25116 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
REN P00797 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL89314 0.94 NR1H2 (0.40) NR1H2MAPK1PDE4BALDH1A1LMNA
SCHEMBL89070 0.90 NR1H2 (0.41) NR1H2MAPK1ALDH1A1LMNAKMT2A
SCHEMBL90236 0.88 REN (0.40) NR1H2MAPK1GAAALOX15SMN1; SMN2
SCHEMBL89416 0.84 NR1H2 (0.41) NR1H2MAPK1ALDH1A1LMNAKMT2A
SCHEMBL89729 0.82 HSD17B10 (0.46) NR1H2PDE4BALDH1A1LMNAKMT2A
SCHEMBL90388 0.82 HSD17B10 (0.46) NR1H2PDE4BALDH1A1LMNAKMT2A
SCHEMBL89542 0.82 HSD17B10 (0.46) NR1H2PDE4BALDH1A1LMNAKMT2A
SCHEMBL88958 0.82 MAPK1 (0.45) MAPK1PDE4BALDH1A1KMT2AMEN1
SCHEMBL21640759 0.81 NR1H2 (0.49) NR1H2PDE4BALDH1A1KMT2AMEN1
SCHEMBL4667718 0.79 NR1H2 (0.51) NR1H2PDE4BALDH1A1KMT2AMEN1

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-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP 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-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 (1 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 NR1H2 1327/4885MAPK1 3191/4885PDE4B 904/4885

“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.