SCHEMBL89465

SCHEMBL89465

CC(C)(C)OC(=O)NCC1(O)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
HCRTR2 O43614 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 5/20 0.39
DRD2 P14416 3/20 0.39
BRD4 O60885 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL28519612 0.95 HCRTR2 (0.43) EPHX1HCRTR2TDP1MEN1GAA
SCHEMBL15497076 0.91 HCRTR2 (0.44) EPHX1HCRTR2TDP1MEN1GAA
SCHEMBL928106 0.85 HCRTR2 (0.39) EPHX1HCRTR2TDP1MEN1GAA
SCHEMBL12905007 0.85 HCRTR2 (0.39) EPHX1HCRTR2TDP1MEN1GAA
SCHEMBL12905008 0.83 HCRTR2 (0.40) EPHX1HCRTR2TDP1MEN1GAA
SCHEMBL2348782 0.83 HCRTR2 (0.40) EPHX1HCRTR2TDP1MEN1GAA
SCHEMBL25785532 0.83 HCRTR2 (0.45) EPHX1HCRTR2TDP1MEN1GAA
SCHEMBL25568142 0.82 HCRTR2 (0.42) EPHX1HCRTR2TDP1MEN1GAA
SCHEMBL9494371 0.82 DRD2 (0.44) HCRTR2TDP1MEN1GAAKMT2A
SCHEMBL25568141 0.82 HCRTR2 (0.42) EPHX1HCRTR2TDP1MEN1GAA

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 EPHX1 363/4885HCRTR2 560/4885TDP1 2580/4885

“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.