SCHEMBL1073010

SCHEMBL1073010

COCCCc1cc(CNC2CC2)cc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TSHR P16473 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
CNR1 P21554 4/20 0.42
CNR2 P34972 3/20 0.42
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
PTGS2 P35354 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
MITF O75030 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
SCHEMBL1518539 0.93 ALDH1A1 (0.49) ALDH1A1TSHRL3MBTL1KDM4EPOLB
SCHEMBL1229421 0.89 ALDH1A1 (0.48) ALDH1A1TSHRL3MBTL1KDM4EPOLB
SCHEMBL1518688 0.87 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1KDM4EPOLB
SCHEMBL1074356 0.86 ALDH1A1 (0.43) ALDH1A1TSHRL3MBTL1KDM4EPOLB
SCHEMBL1073181 0.86 ALDH1A1 (0.43) ALDH1A1TSHRL3MBTL1KDM4EPOLB
SCHEMBL89360 0.86 ALDH1A1 (0.66) ALDH1A1TSHRL3MBTL1KDM4EPOLB
SCHEMBL1071788 0.86 CNR1 (0.48) ALDH1A1TSHRL3MBTL1KDM4EPOLB
SCHEMBL89233 0.86 ALDH1A1 (0.66) ALDH1A1TSHRL3MBTL1KDM4EPOLB
SCHEMBL1536187 0.83 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1KDM4EPOLB
SCHEMBL57079 0.83 ALDH1A1 (0.86) ALDH1A1TSHRL3MBTL1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 US disclosed
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 US disclosed
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 US disclosed
EP-2300453-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2011-03-30 EP disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
EP-2274295-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2011-01-19 EP disclosed
WO-2009140769-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-26 WO disclosed
WO-2009140769-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-26 WO disclosed
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 WO disclosed
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 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 (2 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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 ALDH1A1 512/4885TSHR 4311/4885L3MBTL1 4827/4885
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, AGTR1 ALDH1A1 397/4885TSHR 4518/4885L3MBTL1 4837/4885

“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.