SCHEMBL89832

SCHEMBL89832

COC(=O)[C@@H]1C[C@H](C(=O)Nc2c(C)cccc2OC)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.45
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
EHMT2 Q96KQ7 1/20 0.39
STS P08842 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
REN P00797 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MGLL Q99685 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
SCHEMBL89072 0.92 NPSR1 (0.42) PDE4BNPSR1MEN1KMT2AMAPT
SCHEMBL8235795 0.87 MAPT (0.47) NPSR1MEN1KMT2AMAPTPTPN2
SCHEMBL55897 0.76 NR1H2 (0.51) PDE4BMEN1KMT2AMAPTPTPN2
SCHEMBL10283547 0.76 NR1H2 (0.51) PDE4BMEN1KMT2AMAPTPTPN2
SCHEMBL88863 0.76 NR1H2 (0.51) PDE4BMEN1KMT2AMAPTPTPN2
SCHEMBL89018 0.76 NR1H2 (0.51) PDE4BMEN1KMT2AMAPTPTPN2
SCHEMBL13461241 0.76 NR1H2 (0.51) PDE4BMEN1KMT2AMAPTPTPN2
SCHEMBL4667718 0.76 NR1H2 (0.51) PDE4BMEN1KMT2AMAPTPTPN2
SCHEMBL30306795 0.76 NR1H2 (0.51) PDE4BMEN1KMT2AMAPTPTPN2
SCHEMBL1911378 0.76 REN (0.44) PDE4BNPSR1MEN1KMT2AMAPT

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 5 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

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 PDE4B 904/4885NPSR1 942/4885MEN1 2336/4885

“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.