SCHEMBL89582

SCHEMBL89582

COCCCOc1cc(N(C(=O)[C@@H]2C[C@H](C(=O)NC(C)(C)C3CCOCC3)CN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.35
QPCT Q16769 2/20 0.34
PDE4B Q07343 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CDK9 P50750 1/20 0.32
KCNH2 Q12809 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.31
STS P08842 1/20 0.31
USP30 Q70CQ3 2/20 0.30
GPR119 Q8TDV5 2/20 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
SCHEMBL90536 0.87 PDE4B (0.40) RENPDE4BMEN1KMT2AKCNH2
SCHEMBL89756 0.86 MEN1 (0.37) RENPDE4BMEN1KMT2ANPC1
SCHEMBL90027 0.86 REN (0.43) RENKCNH2
SCHEMBL89819 0.84 REN (0.44) RENKCNH2USP30
SCHEMBL89948 0.83 REN (0.46) RENKCNH2
SCHEMBL1911378 0.83 REN (0.44) RENPDE4BMEN1KMT2AEPHX2
SCHEMBL89001 0.83 REN (0.43) RENKCNH2USP30
SCHEMBL90622 0.82 TSHR (0.38) RENMEN1KMT2A
SCHEMBL89754 0.81 REN (0.40) RENPDE4BKCNH2
SCHEMBL90585 0.81 REN (0.41) RENMEN1KMT2A

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 1/4885QPCT 650/4885PDE4B 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.