SCHEMBL89127

SCHEMBL89127

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)Nc4cc(OC)ccc4C)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.41
EPHX2 P34913 1/20 0.36
CASP1 P29466 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 4/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
PIK3CA P42336 2/20 0.32
PRKDC P78527 2/20 0.32
MTOR P42345 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 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
SCHEMBL89516 0.92 REN (0.42) RENEPHX2CASP1NPSR1POLB
SCHEMBL89867 0.90 REN (0.42) RENPOLBMEN1KMT2ATDP1
SCHEMBL89529 0.89 TDP1 (0.43) RENEPHX2CASP1POLBMEN1
SCHEMBL8235282 0.88 REN (0.42) RENEPHX2NPSR1HPGDPOLB
SCHEMBL89894 0.88 REN (0.52) RENCASP1NPSR1HPGDTP53
SCHEMBL89744 0.88 REN (0.42) RENCASP1HPGDTP53POLB
SCHEMBL1911409 0.88 REN (0.44) RENEPHX2NPSR1HPGDPOLB
SCHEMBL89822 0.88 REN (0.44) RENEPHX2NPSR1HPGDPOLB
SCHEMBL90131 0.87 REN (0.43) RENEPHX2HPGDPOLBHTT
SCHEMBL89689 0.87 REN (0.45) RENEPHX2CASP1NPSR1HPGD

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
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 REN 1/4885EPHX2 1205/4885CASP1 1239/4885

“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.