SCHEMBL89577

SCHEMBL89577

COCCCOc1cc(CN(C(=O)[C@@H]2C[C@H](C(=O)NC3(c4ccccc4)CCCC3)CN(C(=O)OC(C)(C)C)C2)C2CC2)nc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.35
ADAM17 P78536 3/20 0.35
PDE4B Q07343 1/20 0.34
MMP12 P39900 1/20 0.33
CCR5 P51681 1/20 0.33
EPHX2 P34913 1/20 0.33
TACR3 P29371 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
SCHEMBL89939 0.86 REN (0.44) REN
SCHEMBL89208 0.85 REN (0.41) RENPDE4B
SCHEMBL90641 0.83 REN (0.42) RENPDE4BTACR3
SCHEMBL8235131 0.83 REN (0.42) RENPDE4BTACR3
SCHEMBL90188 0.81 REN (0.47) RENPDE4B
SCHEMBL89571 0.81 REN (0.36) RENPDE4B
SCHEMBL89470 0.81 REN (0.55) REN
SCHEMBL89153 0.79 REN (0.34) REN
SCHEMBL89701 0.77 REN (0.34) RENPDE4BEPHX2
SCHEMBL13132117 0.77 REN (0.49) REN

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 6 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
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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 1/4885ADAM17 1605/4885PDE4B 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.