SCHEMBL664745

SCHEMBL664745

COCCCc1cc(Cl)c(Cl)c(CNC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
KCNH2 Q12809 3/20 0.38
KDM4E B2RXH2 4/20 0.36
HTT P42858 3/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MITF O75030 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 5/20 0.35
TSHR P16473 1/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
POLB P06746 2/20 0.33
BCHE P06276 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
SCHEMBL1518257 0.95 CNR1 (0.39) RENKMT2AMEN1KCNH2KDM4E
SCHEMBL1071571 0.92 KMT2A (0.40) RENKMT2AMEN1KCNH2KDM4E
SCHEMBL1518646 0.91 MEN1 (0.37) RENKMT2AMEN1KCNH2KDM4E
SCHEMBL10186637 0.85 CNR1 (0.38) KMT2AMEN1KCNH2KDM4EHTT
SCHEMBL2686691 0.84 BCHE (0.43) RENKMT2AMEN1KCNH2KDM4E
SCHEMBL660901 0.84 REN (0.41) RENKMT2AMEN1KCNH2KDM4E
SCHEMBL1068996 0.83 MAPT (0.36) RENKMT2AMEN1KCNH2KDM4E
SCHEMBL1518881 0.81 KDM4E (0.38) RENKMT2AMEN1KCNH2KDM4E
SCHEMBL12642807 0.81 KDM4E (0.38) RENKMT2AMEN1KDM4EHTT
SCHEMBL1518254 0.81 KMT2A (0.35) RENKMT2AMEN1KCNH2KDM4E

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 22 patents — showing the first 20. 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-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-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-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 US disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US 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
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO 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 (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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 REN 1/4885KMT2A 3129/4885MEN1 4539/4885
US-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KMT2A 4587/4885MEN1 3395/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT REN 1/4885KMT2A 4576/4885MEN1 3226/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885KMT2A 1663/4885MEN1 851/4885
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KMT2A 3927/4885MEN1 4624/4885

“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.