SCHEMBL2808426

SCHEMBL2808426

COCCCOc1cc(C)ccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KDM4E B2RXH2 3/20 0.44
USP2 O75604 2/20 0.44
L3MBTL1 Q9Y468 11/20 0.43
MAPT P10636 8/20 0.43
HPGD P15428 6/20 0.43
RAB9A P51151 4/20 0.43
CYP2C9 P11712 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL2808474 0.83 L3MBTL1 (0.47) TSHRKDM4EUSP2L3MBTL1MAPT
SCHEMBL15462235 0.83 PDCD1 (0.40) TSHRKDM4EUSP2L3MBTL1MAPT
SCHEMBL21043305 0.82 KDM4E (0.44) KDM4EUSP2MAPTHPGDRAB9A
SCHEMBL16477875 0.82 MAPT (0.49) TSHRMAPTCYP3A4ALDH1A1MEN1
SCHEMBL10427955 0.82 MAPT (0.49) TSHRMAPTCYP3A4ALDH1A1MEN1
SCHEMBL13433965 0.81 L3MBTL1 (0.42) TSHRKDM4EUSP2L3MBTL1MAPT
SCHEMBL7952196 0.79 TSHR (0.46) TSHRKDM4EUSP2L3MBTL1MAPT
SCHEMBL89387 0.79 TSHR (0.62) TSHRKDM4EL3MBTL1MAPTHPGD
SCHEMBL11962350 0.79 MAPT (0.45) TSHRKDM4EL3MBTL1MAPTHPGD
SCHEMBL703143 0.78 PDCD1 (0.56) TSHRKDM4EUSP2L3MBTL1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2010-09-23 US disclosed
US-7754727-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
EP-1689712-B1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors SEDRANI RICHARD 2007-04-05 US disclosed
EP-1689712-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051911-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2005-06-09 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 (3 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-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE TSHR 2152/4885KDM4E 3162/4885USP2 4023/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE TSHR 2312/4885KDM4E 3091/4885USP2 3902/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE TSHR 2312/4885KDM4E 3091/4885USP2 3902/4885

“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.