SCHEMBL56016

SCHEMBL56016

COCCCN1C(=O)COc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.52
TSHR P16473 2/20 0.52
POLB P06746 4/20 0.46
TP53 P04637 2/20 0.46
KCNH2 Q12809 1/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
THRB P10828 2/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
KMT2A Q03164 1/20 0.41
KMO O15229 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL8264336 0.97 TSHR (0.51) RENTSHRPOLBTP53KCNH2
SCHEMBL8878797 0.86 SLC5A1 (0.48) TSHRKCNH2SLC5A1SLC5A2THRB
SCHEMBL10127980 0.85 KCNH2 (0.47) TSHRPOLBTP53KCNH2SLC5A1
SCHEMBL8151721 0.82 CHRM2 (0.48) TSHRPOLBTP53KCNH2SLC5A1
SCHEMBL10127988 0.82 KCNH2 (0.50) KCNH2SLC5A1SLC5A2HTR1ADRD3
SCHEMBL89401 0.82 TSHR (0.71) RENTSHRPOLBTP53THRB
SCHEMBL1047741 0.82 REN (0.57) RENTSHRPOLBTP53THRB
SCHEMBL4121923 0.82 KCNH2 (0.49) TSHRPOLBTP53KCNH2SLC5A1
SCHEMBL55503 0.81 REN (0.61) RENTSHRPOLBTP53THRB
SCHEMBL6508989 0.81 REN (0.56) RENTSHRPOLBTP53THRB

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 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-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US disclosed
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006094763-A1 3,4,5-SUBSTITUTED PIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2006-09-14 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 REN 1/4885TSHR 2291/4885POLB 1010/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885TSHR 1095/4885POLB 589/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC REN 1/4885TSHR 2757/4885POLB 663/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO REN 1/4885TSHR 3249/4885POLB 277/4885
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds REN, ACE, PIGO REN 1/4885TSHR 2750/4885POLB 1062/4885

“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.