SCHEMBL89073

SCHEMBL89073

COCCCOc1cc(CN(C(=O)[C@@H]2C[C@H](C(=O)Nc3c(C)cccc3OC)CN(C(=O)OC(C)(C)C)C2)C2CC2)cc2c1CCCO2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.45
NR1H4 Q96RI1 1/20 0.36
PDE4B Q07343 1/20 0.33
MAPT P10636 3/20 0.32
EHMT2 Q96KQ7 1/20 0.32
BCHE P06276 1/20 0.31
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL89339 0.97 REN (0.45) RENNR1H4PDE4BMAPT
SCHEMBL89834 0.87 REN (0.57) REN
SCHEMBL89711 0.87 REN (0.39) RENNR1H4PDE4BEHMT2
SCHEMBL89584 0.86 REN (0.40) RENNR1H4PDE4BEHMT2
SCHEMBL90532 0.86 REN (0.49) RENNR1H4PDE4BMAPT
SCHEMBL90515 0.85 REN (0.38) RENNR1H4
SCHEMBL90031 0.84 REN (0.36) RENNR1H4
SCHEMBL89571 0.84 REN (0.36) RENNR1H4PDE4BBCHEHTR6
SCHEMBL89759 0.84 REN (0.58) REN
SCHEMBL89785 0.83 REN (0.42) RENNR1H4

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 1/4885NR1H4 834/4885PDE4B 904/4885

“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.