SCHEMBL90684

SCHEMBL90684

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.37
PDE4B Q07343 3/20 0.35
TACR1 P25103 1/20 0.34
KCNH2 Q12809 4/20 0.33
NR1H4 Q96RI1 1/20 0.33
CYP3A4 P08684 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
SCHEMBL90743 0.94 PDE4B (0.39) RENPDE4BTACR1KCNH2NR1H4
SCHEMBL90158 0.89 REN (0.37) RENPDE4BTACR1KCNH2NR1H4
SCHEMBL10282961 0.89 REN (0.37) RENPDE4BTACR1KCNH2NR1H4
SCHEMBL15087907 0.89 REN (0.37) RENPDE4BTACR1KCNH2NR1H4
SCHEMBL1911419 0.88 REN (0.34) RENPDE4B
SCHEMBL89775 0.88 REN (0.34) RENPDE4B
SCHEMBL89584 0.88 REN (0.40) RENPDE4BTACR1KCNH2NR1H4
SCHEMBL90379 0.85 REN (0.45) RENKCNH2
SCHEMBL89711 0.84 REN (0.39) RENPDE4BNR1H4
SCHEMBL90515 0.80 REN (0.38) RENKCNH2NR1H4

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
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP 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-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 904/4885TACR1 140/4885

“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.