SCHEMBL90080

SCHEMBL90080

CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC2(c3ccccc3)CCCC2)C[C@@H](C(=O)N(c2ccc3c(c2)NC(=O)C(C)(C)O3)C2CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
USP30 Q70CQ3 4/20 0.32
SSTR4 P31391 1/20 0.32
RORC P51449 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
BRD4 O60885 2/20 0.30
SCN9A Q15858 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CTSL P07711 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL90109 0.86 POLB (0.37) MEN1KMT2AUSP30POLBHPGD
SCHEMBL90078 0.85 SSTR4 (0.40) SSTR4POLBHPGDSCN9AKDM4E
SCHEMBL89825 0.85 POLB (0.36) MEN1KMT2AUSP30POLBHPGD
SCHEMBL89608 0.83 REN (0.40) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL89587 0.80 REN (0.41) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10282924 0.80 REN (0.41) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8237645 0.79 REN (0.36) MEN1KMT2AUSP30ALDH1A1
SCHEMBL89761 0.79 REN (0.41) MEN1KMT2AALDH1A1
SCHEMBL89932 0.78 REN (0.42) MEN1KMT2AALDH1A1
SCHEMBL89251 0.78 REN (0.50)

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 MEN1 2336/4885KMT2A 3129/4885USP30 2713/4885

“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.