SCHEMBL662439

SCHEMBL662439

COCCOc1ccc(Cl)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR4 Q5NUL3 1/20 0.41
TUBB1 Q9H4B7 1/20 0.40
PDE2A O00408 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ERN1 O75460 2/20 0.40
ORAI1 Q96D31 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
APP P05067 1/20 0.39
MAPT P10636 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38

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
SCHEMBL1082103 0.89 L3MBTL1 (0.41) KDM4ETDP1FFAR4TUBB1PDE2A
SCHEMBL3209341 0.81 ALDH1A1 (0.41) TUBB1ALDH1A1ERN1APPMAPT
SCHEMBL8421788 0.81 ERN1 (0.65) TUBB1ERN1
SCHEMBL2199528 0.79 ERN1 (0.61) KDM4ETDP1ALDH1A1ERN1LMNA
SCHEMBL4716958 0.79 MAPT (0.49) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11480200 0.79 KDM4E (0.44) KDM4ETDP1TUBB1ALDH1A1ERN1
SCHEMBL16741184 0.77 APP (0.41) ALDH1A1ERN1APP
SCHEMBL3204682 0.77 TYR (0.65) TUBB1ALDH1A1ERN1APPMAPT
SCHEMBL5143351 0.77 ALDH1A1 (0.67) KDM4ETDP1TUBB1ALDH1A1ERN1
SCHEMBL13490743 0.77 L3MBTL1 (0.63) KDM4ETDP1FFAR4PDE2APDE10A

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 14 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
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 US disclosed
CN-102015682-A 3, 4-substituted piperidine derivatives as renin inhibitors MERCK FROSST CANADA LTD 2011-04-13 CN 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
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-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 WO disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (4 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 KDM4E 631/4885TDP1 4161/4885FFAR4 1788/4885
US-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 KDM4E 3884/4885TDP1 3552/4885FFAR4 2006/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT KDM4E 3615/4885TDP1 3674/4885FFAR4 2899/4885
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, AGTR1 KDM4E 1515/4885TDP1 4368/4885FFAR4 1765/4885

“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.