SCHEMBL90109

SCHEMBL90109

CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C[C@@H](C(=O)N(c2ccc3c(c2)NC(=O)C(C)(C)O3)C2CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP30 Q70CQ3 4/20 0.34
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HASPIN Q8TF76 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
TACR1 P25103 1/20 0.30
MAPT P10636 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
SCHEMBL89825 0.92 POLB (0.36) POLBHPGDDDB1CRBNMEN1
SCHEMBL90080 0.86 MEN1 (0.33) POLBHPGDDDB1CRBNMEN1
SCHEMBL90672 0.85 MEN1 (0.36) DDB1CRBNMEN1KMT2AUSP30
SCHEMBL89251 0.82 REN (0.50)
SCHEMBL89057 0.79 REN (0.43) POLBHPGDMEN1KMT2AALDH1A1
SCHEMBL90629 0.79 REN (0.39) POLBHPGDMEN1KMT2AALDH1A1
SCHEMBL89267 0.77 MEN1 (0.34) DDB1CRBNMEN1KMT2AUSP30
SCHEMBL89961 0.77 ALDH1A1 (0.35) POLBHPGDMEN1KMT2AALDH1A1
SCHEMBL89826 0.76 REN (0.35) POLBHPGDMEN1KMT2AALDH1A1
SCHEMBL90021 0.73 TSHR (0.40) POLBMEN1KMT2AKDM4EALDH1A1

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 723/4885DDB1 4198/4885

“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.