SCHEMBL90532

SCHEMBL90532

COCCCOc1cc(CN(C(=O)[C@@H]2C[C@H](C(=O)Nc3c(C)cccc3OC)CN(C(=O)OC(C)(C)C)C2)C2CC2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.49
PDE4B Q07343 1/20 0.38
THRB P10828 1/20 0.36
SGMS1 Q86VZ5 2/20 0.35
SGMS2 Q8NHU3 2/20 0.35
KCNH2 Q12809 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.34
STS P08842 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
SCHEMBL8237944 0.88 REN (0.44) RENPDE4BTHRBNR1H4NPSR1
SCHEMBL89339 0.86 REN (0.45) RENPDE4BNR1H4MAPT
SCHEMBL89073 0.86 REN (0.45) RENPDE4BNR1H4MAPT
SCHEMBL89332 0.85 REN (0.63) RENKCNH2CYP3A4
SCHEMBL1911378 0.84 REN (0.44) RENPDE4BNPSR1MAPTSTS
SCHEMBL89818 0.83 REN (0.41) RENPDE4BSGMS1SGMS2KCNH2
SCHEMBL90351 0.82 REN (0.46) RENPDE4BSGMS1SGMS2KCNH2
SCHEMBL89696 0.82 REN (0.46) RENPDE4BSGMS1SGMS2KCNH2
SCHEMBL89636 0.82 REN (0.44) RENPDE4BKCNH2NPSR1MAPT
SCHEMBL89118 0.82 REN (0.42) RENPDE4BNPSR1MAPTSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1/4885PDE4B 904/4885THRB 1041/4885

“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.