SCHEMBL90034

SCHEMBL90034

COCCCOc1cc(CN(C(=O)[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)CN(C(=O)OC(C)(C)C)C2)C2CC2)cc(OC)c1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.42
PDE4B Q07343 1/20 0.39
ACACB O00763 1/20 0.35
RECQL P46063 1/20 0.35
TACR1 P25103 1/20 0.34
C5 P01031 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL8238508 1.00 REN (0.42) RENPDE4BACACBRECQLTACR1
SCHEMBL89702 0.86 REN (0.47) RENPDE4BTACR1JAK2JAK1
SCHEMBL89707 0.86 REN (0.47) RENPDE4BTACR1
SCHEMBL89208 0.85 REN (0.41) RENPDE4BTACR1
SCHEMBL1911402 0.85 REN (0.54) REN
SCHEMBL89760 0.85 REN (0.54) REN
SCHEMBL89863 0.81 REN (0.45) RENPDE4BACACBRECQL
SCHEMBL89310 0.81 REN (0.51) RENPDE4B
SCHEMBL89006 0.81 REN (0.48) RENPDE4B
SCHEMBL90226 0.81 PDE4B (0.36) RENPDE4BRECQL

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 REN 1/4885PDE4B 904/4885ACACB 2221/4885

“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.