SCHEMBL89756

SCHEMBL89756

COCCCOc1cc(N(C(=O)[C@@H]2C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PDE4B Q07343 3/20 0.37
REN P00797 5/20 0.37
USP30 Q70CQ3 2/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
TACR1 P25103 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
SCHEMBL90536 0.93 PDE4B (0.40) MEN1KMT2APDE4BRENUSP30
SCHEMBL89134 0.91 GPR119 (0.37) MEN1KMT2APDE4BUSP30NPC1
SCHEMBL89909 0.90 PDE4B (0.36) MEN1KMT2APDE4BRENUSP30
SCHEMBL89819 0.87 REN (0.44) RENUSP30
SCHEMBL89948 0.86 REN (0.46) REN
SCHEMBL89582 0.86 REN (0.35) MEN1KMT2APDE4BRENUSP30
SCHEMBL89477 0.85 REN (0.42) MEN1KMT2APDE4BRENUSP30
SCHEMBL1911378 0.85 REN (0.44) MEN1KMT2APDE4BRENUSP30
SCHEMBL89001 0.85 REN (0.43) RENUSP30
SCHEMBL89754 0.84 REN (0.40) PDE4BREN

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 MEN1 2336/4885KMT2A 3129/4885PDE4B 904/4885

“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.