SCHEMBL89416

SCHEMBL89416

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 7/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
F2R P25116 1/20 0.38
MEN1 O00255 5/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL89070 0.94 NR1H2 (0.41) NR1H2MAPK1KMT2AITGB3ITGA2B
SCHEMBL1911486 0.90 REN (0.41) NR1H2MAPK1KMT2ASMN1; SMN2GAA
SCHEMBL89994 0.90 REN (0.41) NR1H2MAPK1KMT2ASMN1; SMN2GAA
SCHEMBL89314 0.89 NR1H2 (0.40) NR1H2MAPK1KMT2AITGB3ITGA2B
SCHEMBL90387 0.84 HSD17B10 (0.47) NR1H2KMT2AITGB3ITGA2BMEN1
SCHEMBL89075 0.84 HSD17B10 (0.47) NR1H2KMT2AITGB3ITGA2BMEN1
SCHEMBL90735 0.84 HSD17B10 (0.47) NR1H2KMT2AITGB3ITGA2BMEN1
SCHEMBL88882 0.84 NR1H2 (0.41) NR1H2MAPK1KMT2AITGB3ITGA2B
SCHEMBL23658046 0.83 NR1H2 (0.43) NR1H2KMT2AMEN1ALDH1A1LMNA
SCHEMBL18637510 0.83 NR1H2 (0.43) NR1H2KMT2AMEN1ALDH1A1LMNA

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
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 3191/4885KMT2A 3129/4885

“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.