SCHEMBL89658

SCHEMBL89658

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC(C)c4ccccc4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.46
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL89163 1.00 REN (0.46) RENKMT2APOLBALDH1A1MEN1
SCHEMBL89689 0.94 REN (0.45) RENKMT2APOLBALDH1A1MEN1
SCHEMBL90619 0.94 REN (0.45) RENKMT2APOLBALDH1A1MEN1
SCHEMBL90681 0.94 REN (0.45) RENKMT2APOLBALDH1A1MEN1
SCHEMBL90065 0.94 REN (0.44) RENKMT2APOLBALDH1A1MEN1
SCHEMBL89370 0.94 REN (0.45) RENKMT2APOLBALDH1A1MEN1
SCHEMBL90692 0.94 REN (0.44) RENKMT2APOLBALDH1A1MEN1
SCHEMBL89936 0.93 REN (0.44) RENKMT2APOLBALDH1A1MEN1
SCHEMBL90486 0.93 REN (0.44) RENKMT2APOLBALDH1A1MEN1
SCHEMBL90655 0.93 REN (0.45) RENKMT2APOLBALDH1A1MEN1

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 1/4885KMT2A 3129/4885POLB 589/4885

“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.