SCHEMBL90337

SCHEMBL90337

COCCOCc1cc(CO)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CALM1 P0DP23 1/20 0.37
PTGS2 P35354 1/20 0.36
TACR1 P25103 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL8263369 0.90 DAO (0.40) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12135859 0.87 DAO (0.40) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1621038 0.85 APP (0.42) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13376377 0.84 ADRB2 (0.37) TACR1ACHENAMPT
SCHEMBL88992 0.84 PTGS2 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1620230 0.83 GRIN2D (0.47) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8264225 0.83 TACR1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8265190 0.83 TACR1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1621101 0.81 DAO (0.53) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4602449 0.81 TACR1 (0.52) CALM1TACR1CYP3A4ACHEALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US 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
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-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-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-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
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 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 (4 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 DAO 485/4885GRIN2D 3405/4885GRIN3B 3851/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 DAO 347/4885GRIN2D 3383/4885GRIN3B 2869/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC DAO 251/4885GRIN2D 2239/4885GRIN3B 1594/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 DAO 391/4885GRIN2D 2621/4885GRIN3B 2508/4885

“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.