SCHEMBL90114

SCHEMBL90114

COCCCn1cc(C(=O)N(C[C@@H]2C[C@H](C(=O)NCCC(C)C)CN(C(=O)OC(C)(C)C)C2)C2CC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.54
CNR2 P34972 5/20 0.40
CNR1 P21554 4/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.35
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL89713 0.85 REN (0.69) RENCNR2CNR1ALDH1A1MAPT
SCHEMBL90309 0.84 REN (0.76) REN
SCHEMBL89691 0.84 REN (0.76) REN
SCHEMBL90737 0.84 REN (0.76) REN
SCHEMBL89063 0.79 REN (0.75) REN
SCHEMBL90367 0.79 REN (0.47) REN
SCHEMBL89734 0.79 REN (0.37) RENCNR2CNR1ALDH1A1
SCHEMBL89225 0.77 REN (0.70) REN
SCHEMBL88880 0.75 REN (0.75) REN
SCHEMBL89677 0.74 REN (0.69) REN

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 REN 1/4885CNR2 1820/4885CNR1 1200/4885

“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.