SCHEMBL8264336

SCHEMBL8264336

COCCCCN1C(=O)COc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
REN P00797 1/20 0.49
KCNH2 Q12809 1/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 4/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 2/20 0.42
MAPT P10636 1/20 0.42
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
KMO O15229 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL56016 0.97 REN (0.52) TSHRRENKCNH2SLC5A1SLC5A2
SCHEMBL8878797 0.85 SLC5A1 (0.48) TSHRKCNH2SLC5A1SLC5A2KDM4E
SCHEMBL10127980 0.84 KCNH2 (0.47) TSHRKCNH2SLC5A1SLC5A2POLB
SCHEMBL89003 0.82 TSHR (0.70) TSHRRENPOLBTP53THRB
SCHEMBL8151721 0.81 CHRM2 (0.48) TSHRKCNH2SLC5A1SLC5A2KDM4E
SCHEMBL8264865 0.81 REN (0.57) TSHRRENKDM4EPOLBTP53
SCHEMBL10127988 0.81 KCNH2 (0.50) KCNH2SLC5A1SLC5A2HTR1ADRD3
SCHEMBL4121923 0.81 KCNH2 (0.49) TSHRKCNH2SLC5A1SLC5A2POLB
SCHEMBL328205 0.79 KCNH2 (0.52) KCNH2POLBMAPT
SCHEMBL1047741 0.79 REN (0.57) TSHRRENKDM4EPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US 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
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
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP 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 (2 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-20110263560-A1 Organic Compounds REN, ACE, OTC TSHR 2757/4885REN 1/4885KCNH2 337/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TSHR 3249/4885REN 1/4885KCNH2 417/4885

“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.