SCHEMBL90351

SCHEMBL90351

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.46
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
SGMS1 Q86VZ5 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
GAA P10253 1/20 0.34
PDE4B Q07343 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
SCHEMBL89696 1.00 REN (0.46) RENEPHX2ALDH1A1LMNASGMS1
SCHEMBL89818 0.91 REN (0.41) RENALDH1A1LMNASGMS1SGMS2
SCHEMBL89092 0.89 REN (0.46) RENALDH1A1LMNASGMS1SGMS2
SCHEMBL89207 0.87 REN (0.46) RENALDH1A1LMNASGMS1SGMS2
SCHEMBL89732 0.87 REN (0.53) RENALDH1A1CYP3A4PDE4B
SCHEMBL89204 0.86 REN (0.44) RENALDH1A1LMNACYP3A4KCNH2
SCHEMBL4491163 0.85 REN (0.42) RENSGMS1SGMS2CYP3A4KCNH2
SCHEMBL4491158 0.85 REN (0.42) RENSGMS1SGMS2CYP3A4KCNH2
SCHEMBL90390 0.85 REN (0.59) RENCYP3A4KCNH2
SCHEMBL90343 0.85 REN (0.59) RENCYP3A4KCNH2

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 1/4885EPHX2 1205/4885ALDH1A1 38/4885

“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.