SCHEMBL89937

SCHEMBL89937

COC(=O)[C@@H]1C[C@H](C(=O)NC(C)(C)c2ccccc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
SSTR4 P31391 2/20 0.42
PDE4B Q07343 3/20 0.41
STS P08842 2/20 0.41
NAMPT P43490 1/20 0.41
USP30 Q70CQ3 3/20 0.41
TACR1 P25103 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL90006 0.91 RORC (0.44) RORCSSTR4STSNAMPTUSP30
SCHEMBL90229 0.81 RECQL (0.51)
SCHEMBL88863 0.80 NR1H2 (0.51) PDE4BNAMPTPTPN2PTPN1PTPN6
SCHEMBL13461241 0.80 NR1H2 (0.51) PDE4BNAMPTPTPN2PTPN1PTPN6
SCHEMBL10283547 0.80 NR1H2 (0.51) PDE4BNAMPTPTPN2PTPN1PTPN6
SCHEMBL55897 0.80 NR1H2 (0.51) PDE4BNAMPTPTPN2PTPN1PTPN6
SCHEMBL4667718 0.80 NR1H2 (0.51) PDE4BNAMPTPTPN2PTPN1PTPN6
SCHEMBL89018 0.80 NR1H2 (0.51) PDE4BNAMPTPTPN2PTPN1PTPN6
SCHEMBL30306795 0.80 NR1H2 (0.51) PDE4BNAMPTPTPN2PTPN1PTPN6
SCHEMBL23390124 0.80 RORC (0.49) RORCPDE4BSTSNAMPTUSP30

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
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 RORC 1202/4885SSTR4 905/4885PDE4B 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.