SCHEMBL90725

SCHEMBL90725

CCc1cc(F)c(N(C(=O)[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)CN(C(=O)OC(C)(C)C)C2)C2CC2)cc1OCCCOC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.42
KCNH2 Q12809 2/20 0.42
SCN9A Q15858 2/20 0.33
USP30 Q70CQ3 2/20 0.32
DPP4 P27487 1/20 0.32
PDE4B Q07343 2/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL89881 0.87 REN (0.44) RENKCNH2SCN9AUSP30DPP4
SCHEMBL89609 0.87 REN (0.41) RENKCNH2
SCHEMBL89546 0.86 REN (0.42) RENKCNH2SCN9ADPP4PDE4B
SCHEMBL89592 0.85 REN (0.57) RENKCNH2
SCHEMBL90716 0.84 REN (0.55) RENKCNH2
SCHEMBL90178 0.84 REN (0.41) RENKCNH2SCN9AUSP30DPP4
SCHEMBL8235848 0.83 REN (0.54) RENKCNH2USP30DPP4
SCHEMBL90289 0.82 REN (0.65) RENKCNH2
SCHEMBL89477 0.80 REN (0.42) RENKCNH2SCN9AUSP30DPP4
SCHEMBL90286 0.79 REN (0.41) RENKCNH2SCN9ADPP4PDE4B

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 1/4885KCNH2 415/4885SCN9A 1385/4885

“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.