SCHEMBL556155

SCHEMBL556155

COC[C@H](C)COCc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
MAOB P27338 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
APP P05067 1/20 0.36
KMT2A Q03164 1/20 0.35
TACR1 P25103 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
PYCR1 P32322 1/20 0.33

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
SCHEMBL1013889 1.00 IDO1 (0.42) IDO1MAOBCA1CA2KDM4E
SCHEMBL7604498 0.84 AGXT (0.44) IDO1MAOBCA1CA2KDM4E
SCHEMBL2408881 0.82 IDO1 (0.42) IDO1MAOBCA1CA2KDM4E
SCHEMBL2408874 0.82 IDO1 (0.42) IDO1MAOBCA1CA2KDM4E
SCHEMBL7863791 0.81 TSHR (0.52) CA1CA2L3MBTL1TDP1KMT2A
SCHEMBL13002270 0.81 TSHR (0.52) CA1CA2L3MBTL1TDP1KMT2A
SCHEMBL4545488 0.81 TSHR (0.52) CA1CA2L3MBTL1TDP1KMT2A
SCHEMBL2406493 0.80 IDO1 (0.38) IDO1MAOBCA1CA2KDM4E
SCHEMBL2406488 0.80 IDO1 (0.38) IDO1MAOBCA1CA2KDM4E
SCHEMBL3790978 0.80 IDO1 (0.35) IDO1MAOBCA1CA2APP

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2011-09-01 US disclosed
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
EP-2271644-A1 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS Novartis AG (CH) 2011-01-12 EP disclosed
US-20100256146-A1 TRISUBSTITUTED PIPERIDINES NOVARTIS AG 2010-10-07 US disclosed
EP-2212317-A1 4,4-DISUBSTITUTED PIPERIDINES Novartis AG (CH) 2010-08-04 EP disclosed
EP-2212315-A1 TRISUBSTITUTED PIPERIDINES Novartis AG (CH) 2010-08-04 EP disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
US-7625893-B2 Substituted 4-phenyl piperidines for use as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2009-12-01 US disclosed
WO-2009121914-A1 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-10-08 WO disclosed
US-20090088426-A1 Substituted 4-Phenyl Piperidines for Use as Renin Inhibitors SPEEDEL EXPERIMENTA AG 2009-04-02 US disclosed
EP-1934207-B1 SUBSTITUTED 4-PHENYL PIPERIDINES FOR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2009-03-11 EP disclosed
EP-1934207-A1 SUBSTITUTED 4-PHENYL PIPERIDINES FOR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2008-06-25 EP disclosed
EP-1911758-A1 Phenyl piperidine derivatives for use as renin inhibitors Speedel Experimenta AG (CH) 2008-04-16 EP disclosed
WO-2008040764-A1 SUBSTITUTED 4-PHENYL PIPERIDINES FOR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2008-04-10 WO disclosed
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908763-A1 Bicyclic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908471-A1 Tetrahydropyridines as renin inhibitors Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 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 (5 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-20090088426-A1 Substituted 4-Phenyl Piperidines for Use as Renin Inhibitors REN, AGTR1, ACE IDO1 3744/4885MAOB 451/4885CA1 3289/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 IDO1 3324/4885MAOB 1712/4885CA1 4675/4885
US-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES REN, AGTR2, AVPR2 IDO1 3753/4885MAOB 891/4885CA1 4238/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 IDO1 3315/4885MAOB 796/4885CA1 4419/4885
US-20100256146-A1 TRISUBSTITUTED PIPERIDINES REN, AGTR1, AGTR2 IDO1 3878/4885MAOB 726/4885CA1 3762/4885

“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.