SCHEMBL90226

SCHEMBL90226

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)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
REN P00797 8/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KCNH2 Q12809 3/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL89782 0.84 REN (0.49) RENKCNH2
SCHEMBL89863 0.84 REN (0.45) PDE4BALDH1A1RENKCNH2RECQL
SCHEMBL89819 0.82 REN (0.44) RENKCNH2USP30
SCHEMBL90026 0.81 THRB (0.39) RENPOLBTP53
SCHEMBL89948 0.81 REN (0.46) RENKCNH2
SCHEMBL90034 0.81 REN (0.42) PDE4BRENRECQL
SCHEMBL8238508 0.81 REN (0.42) PDE4BRENRECQL
SCHEMBL89001 0.80 REN (0.43) RENKCNH2USP30
SCHEMBL89658 0.80 REN (0.46) MEN1KMT2AALDH1A1RENPOLB
SCHEMBL89163 0.80 REN (0.46) MEN1KMT2AALDH1A1RENPOLB

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

“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.