SCHEMBL89863

SCHEMBL89863

COCCCOc1cc(N(C(=O)[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccccc3)CN(C(=O)OC(C)(C)C)C2)C2CC2)c(F)cc1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.45
KCNH2 Q12809 4/20 0.45
PDE4B Q07343 1/20 0.36
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACACB O00763 1/20 0.34
USP30 Q70CQ3 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL89844 0.87 REN (0.55) RENKCNH2
SCHEMBL89477 0.87 REN (0.42) RENKCNH2PDE4BUSP30
SCHEMBL90282 0.85 REN (0.64) RENKCNH2
SCHEMBL90124 0.85 REN (0.61) RENKCNH2
SCHEMBL90226 0.84 PDE4B (0.36) RENKCNH2PDE4BRECQLALDH1A1
SCHEMBL90286 0.84 REN (0.41) RENKCNH2PDE4B
SCHEMBL90716 0.81 REN (0.55) RENKCNH2
SCHEMBL8238508 0.81 REN (0.42) RENPDE4BRECQLACACB
SCHEMBL90034 0.81 REN (0.42) RENPDE4BRECQLACACB
SCHEMBL89890 0.81 REN (0.53) RENKCNH2PDE4BUSP30

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885KCNH2 415/4885PDE4B 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.