SCHEMBL8265264

SCHEMBL8265264

COCCCN1CCOc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.50
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
TSHR P16473 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
HTR1A P08908 2/20 0.39
SLC6A4 P31645 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL20175322 0.83 CHRNB4 (0.41) CHRNB4CHRNA3TSHRPIK3CDPIK3CA
SCHEMBL499294 0.82 NOS3 (0.48) CHRNB4CHRNA3PIK3CDPIK3CAPIK3CB
SCHEMBL91287 0.80 REN (0.55) RENTSHRHTR1ASLC6A4MAPT
SCHEMBL1083640 0.79 REN (0.54) RENTSHRPIK3CDPIK3CAPIK3CB
SCHEMBL8263807 0.79 REN (0.60) RENTSHRHTR1ASLC6A4MAPT
SCHEMBL5710197 0.79 REN (0.54) RENTSHRHTR1ASLC6A4MAPT
SCHEMBL23455368 0.79 MAPT (0.40) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL6427738 0.78 PIK3CD (0.47) CHRNB4CHRNA3PIK3CDPIK3CAPIK3CB
SCHEMBL30781048 0.78 PIK3CD (0.47) CHRNB4CHRNA3PIK3CDPIK3CAPIK3CB
SCHEMBL56016 0.78 REN (0.52) RENTSHRHTR1ASLC6A4MAPT

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 REN 1/4885CHRNB4 3433/4885CHRNA3 2867/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO REN 1/4885CHRNB4 3546/4885CHRNA3 2954/4885

“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.