SCHEMBL89972

SCHEMBL89972

COC[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.54
CTSS P25774 2/20 0.54
CYP3A4 P08684 1/20 0.45
AAK1 Q2M2I8 2/20 0.43
CACNA1B Q00975 2/20 0.42
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EPHX1 P07099 1/20 0.41
REN P00797 2/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
SYK P43405 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSH P09668 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL90275 1.00 CTSK (0.54) CTSKCTSSCYP3A4AAK1CACNA1B
SCHEMBL90266 0.86 CTSK (0.52) CTSKCTSSCYP3A4AAK1CACNA1B
SCHEMBL89945 0.86 CTSK (0.52) CTSKCTSSCYP3A4AAK1CACNA1B
SCHEMBL57254 0.86 CTSK (0.56) CTSKCTSSCYP3A4AAK1CACNA1B
SCHEMBL1424703 0.86 CTSK (0.56) CTSKCTSSCYP3A4AAK1CACNA1B
SCHEMBL55961 0.86 CTSK (0.56) CTSKCTSSCYP3A4AAK1CACNA1B
SCHEMBL8269725 0.86 CTSK (0.56) CTSKCTSSCYP3A4AAK1CACNA1B
SCHEMBL1863315 0.84 CTSK (0.55) CTSKCTSSCYP3A4AAK1CACNA1B
SCHEMBL1863317 0.84 CTSK (0.55) CTSKCTSSCYP3A4AAK1CACNA1B
SCHEMBL1864690 0.84 CTSK (0.50) CTSKCTSSCYP3A4AAK1CACNA1B

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 CTSK 863/4885CTSS 301/4885CYP3A4 416/4885

“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.