SCHEMBL90199

SCHEMBL90199

COC(=O)[C@H]1C[C@@H](C(=O)N(c2ccc3c(c2)N(CCOC2CCCCO2)C(=O)C(C)(C)O3)C2CC2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 4/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
REN P00797 1/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4B Q07343 1/20 0.31
CASP1 P29466 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 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
SCHEMBL90679 0.96 REN (0.37) ALDH1A1SMN1; SMN2KMT2APOLBGAA
SCHEMBL89961 0.94 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KMT2APOLBGAA
SCHEMBL89826 0.90 REN (0.35) ALDH1A1SMN1; SMN2KMT2APOLBGAA
SCHEMBL90631 0.89 REN (0.41) ALDH1A1SMN1; SMN2KMT2APOLBGAA
SCHEMBL90653 0.86 REN (0.50) ALDH1A1SMN1; SMN2KMT2APOLBGAA
SCHEMBL89267 0.85 MEN1 (0.34) KMT2ARENMEN1PDE4B
SCHEMBL89397 0.83 REN (0.53) ALDH1A1SMN1; SMN2KMT2APOLBGAA
SCHEMBL90216 0.82 REN (0.43) ALDH1A1SMN1; SMN2KMT2APOLBGAA
SCHEMBL89057 0.82 REN (0.43) ALDH1A1SMN1; SMN2KMT2APOLBGAA
SCHEMBL90629 0.82 REN (0.39) ALDH1A1SMN1; SMN2KMT2APOLBGAA

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 ALDH1A1 38/4885SMN1; SMN2 1867/4885KMT2A 3129/4885

“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.