SCHEMBL664247

SCHEMBL664247

COCCCc1cc(CNC2CC2)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.42
ADRA2A P08913 1/20 0.38
MCHR1 Q99705 1/20 0.38
NCF1 P14598 2/20 0.38
KLK7 P49862 1/20 0.38
APP P05067 2/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
TACR3 P29371 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10186640 0.86 MEN1 (0.44) ADRA2AMCHR1MEN1KMT2AALDH1A1
SCHEMBL89260 0.83 HTR3E (0.44) ADRA2AMCHR1NCF1APPBCHE
SCHEMBL660585 0.81 KDM4E (0.44) RENNCF1MEN1KMT2ATP53
SCHEMBL89578 0.80 NCF1 (0.42) ADRA2AMCHR1NCF1APPBCHE
SCHEMBL1518682 0.80 REN (0.41) RENMCHR1MEN1KMT2ARAB9A
SCHEMBL88934 0.80 HTR3E (0.43) ADRA2AMCHR1NCF1KLK7APP
SCHEMBL11942312 0.79 KDM4E (0.47) RENNCF1MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL2809059 0.79 NCF1 (0.41) ADRA2AMCHR1NCF1APPBCHE
SCHEMBL663467 0.77 ALDH1A1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL10237404 0.77 PDCD1 (0.36) 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 26 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
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
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-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
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
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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 REN 1/4885ADRA2A 611/4885MCHR1 4578/4885
US-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885ADRA2A 317/4885MCHR1 3786/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT REN 1/4885ADRA2A 452/4885MCHR1 3717/4885

“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.