SCHEMBL89338

SCHEMBL89338

COCCCOc1cc(NC2CC2)ncc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.38
CCNK O75909 7/20 0.38
CDK9 P50750 7/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
EGFR P00533 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36
CNR2 P34972 2/20 0.35
SYK P43405 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL90301 0.84 CCNK (0.41) CCNKCDK9PDGFRBPDGFRAEGFR
SCHEMBL7858376 0.83 PDGFRB (0.47) RENPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL90302 0.81 PDGFRB (0.38) CCNKCDK9PDGFRBPDGFRAEGFR
SCHEMBL89349 0.79 CCNK (0.38) CCNKCDK9PDGFRBPDGFRAEGFR
SCHEMBL7869509 0.78 PDE10A (0.37) RENPDE10A
SCHEMBL90611 0.78 REN (0.39) REN
SCHEMBL7864023 0.77 ABL1 (0.37) RENPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL90675 0.77 KMT2A (0.40) CCNKCDK9PDGFRBPDGFRAEGFR
SCHEMBL89860 0.75 REN (0.37) RENCCNKCDK9PRKAB2PRKAG1
SCHEMBL89396 0.74 SLC6A2 (0.41) REN

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-2527338-B1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL) -3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2015-05-06 EP disclosed
EP-2181105-B1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL)-3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2015-04-29 EP disclosed
US-8497286-B2 Organic compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8497286-B2 Organic compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20130005770-A1 ORGANIC COMPOUNDS NOVARTIS AG 2013-01-03 US disclosed
US-20130005770-A1 ORGANIC COMPOUNDS NOVARTIS AG 2013-01-03 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2009000811-A1 N5-(2-ETHOXYETHYL)-N3-(2-PYRIDINYL)-3,5-PIPERIDINEDICARBOXAMIDE DERIVATIVES FOR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2008-12-31 WO disclosed
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 US disclosed
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885CCNK 3644/4885CDK9 1800/4885
US-20080319018-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 REN 1/4885CCNK 3100/4885CDK9 1692/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 REN 1/4885CCNK 3100/4885CDK9 1692/4885

“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.