SCHEMBL664034

SCHEMBL664034

COCCCc1cc(CNC2CC2)c(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.41
CYP3A4 P08684 1/20 0.38
CCNK O75909 9/20 0.37
CDK9 P50750 9/20 0.37
KCNH2 Q12809 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC2A1 P11166 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL10237404 0.86 PDCD1 (0.36) RENCYP3A4CCNKCDK9KCNH2
SCHEMBL10186690 0.86 ALDH1A1 (0.36) KCNH2KDM4EMEN1KMT2ASLC2A1
SCHEMBL13181404 0.83 PABPC1 (0.35) RENCYP3A4KCNH2HTTTDP1
SCHEMBL2635178 0.80 REN (0.44) RENCYP3A4KDM4EGAAALDH1A1
Hydrochloric Acid SCHEMBL4682923 0.79 REN (0.43) RENCYP3A4KDM4EGAAALDH1A1
SCHEMBL91265 0.78 REN (0.41) RENCYP3A4KDM4EHTTALDH1A1
SCHEMBL660901 0.77 REN (0.41) RENCYP3A4KCNH2KDM4EMEN1
SCHEMBL663467 0.76 ALDH1A1 (0.44) CCNKCDK9KCNH2KDM4EMEN1
SCHEMBL1751522 0.76 HPGD (0.45) RENKCNH2
SCHEMBL664247 0.76 REN (0.42) RENMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US claimed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US claimed
US-20090062342-A1 AMINES ACTELION PHARMACEUTICALS LTD. (CH) 2009-03-05 US claimed
EP-1994026-A2 NEW AMINES Actelion Pharmaceuticals Ltd. (CH) 2008-11-26 EP claimed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP claimed
WO-2007102127-A2 NEW AMINES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-13 WO claimed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO claimed
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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007102127-A2 NEW AMINES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-13 WO disclosed
WO-2007099509-A2 PRIMARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-07 WO 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
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 (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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885CYP3A4 774/4885CCNK 2784/4885
US-20090062342-A1 AMINES REN, ACE, MAOA REN 1/4885CYP3A4 331/4885CCNK 1446/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885CYP3A4 441/4885CCNK 1628/4885

“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.