SCHEMBL89153

SCHEMBL89153

CCc1sc(CCCOC)cc1CN(C(=O)[C@@H]1C[C@H](C(=O)NC2(c3ccccc3)CCCC2)CN(C(=O)OC(C)(C)C)C1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.34
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
SCN9A Q15858 4/20 0.30
ACKR3 P25106 1/20 0.30
TACR1 P25103 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
SCHEMBL1911398 0.86 REN (0.44) RENCYP3A4KCNH2
SCHEMBL8235804 0.86 REN (0.44) RENCYP3A4KCNH2
SCHEMBL89657 0.86 REN (0.44) RENCYP3A4KCNH2
SCHEMBL89470 0.81 REN (0.55) RENKCNH2
SCHEMBL8235131 0.81 REN (0.42) RENCYP3A4KCNH2
SCHEMBL90641 0.81 REN (0.42) RENCYP3A4KCNH2
SCHEMBL90487 0.80 REN (0.47) RENKCNH2
SCHEMBL89208 0.80 REN (0.41) RENCYP3A4KCNH2SCN9ATACR1
SCHEMBL89577 0.79 REN (0.35) REN
SCHEMBL89571 0.78 REN (0.36) RENCYP3A4KCNH2JAK2JAK1

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 1/4885CYP3A4 416/4885KCNH2 415/4885

“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.