SCHEMBL89825

SCHEMBL89825

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
PDE4B Q07343 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HASPIN Q8TF76 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
USP30 Q70CQ3 3/20 0.32
BRD4 O60885 1/20 0.31
NPC1 O15118 1/20 0.31
JAK1 P23458 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
SCHEMBL90109 0.92 POLB (0.37) POLBHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL89267 0.85 MEN1 (0.34) DDB1CRBNPDE4BCCNCCDK8
SCHEMBL90080 0.85 MEN1 (0.33) POLBHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL89251 0.82 REN (0.50)
SCHEMBL90631 0.80 REN (0.41) POLBHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL90199 0.77 ALDH1A1 (0.36) POLBHPGDALDH1A1SMN1; SMN2PDE4B
SCHEMBL90672 0.77 MEN1 (0.36) DDB1CRBNCCNCCDK8HASPIN
SCHEMBL90679 0.76 REN (0.37) POLBHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL90025 0.74 TSHR (0.41) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL89057 0.74 REN (0.43) POLBHPGDALDH1A1SMN1; SMN2MEN1

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 POLB 589/4885HPGD 723/4885KDM4E 1650/4885

“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.