SCHEMBL90129

SCHEMBL90129

CCN(C(=O)[C@@H]1CNC[C@@H](C(=O)NCCC(C)C)C1)c1ccc2c(c1)N(CCCOC)C(=O)CO2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.48
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 3/20 0.38
THRB P10828 2/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL89189 0.90 REN (0.52) RENTSHRKDM4EPOLBTP53
SCHEMBL90394 0.90 REN (0.52) RENTSHRKDM4EPOLBTP53
SCHEMBL90138 0.87 TSHR (0.41) RENTSHRKDM4EPOLBTP53
SCHEMBL1913314 0.83 TSHR (0.43) RENTSHRKDM4EPOLBTP53
SCHEMBL90326 0.79 REN (0.55) RENTSHR
SCHEMBL89197 0.79 REN (0.45) RENTSHRKDM4EPOLBTP53
SCHEMBL90107 0.78 REN (0.61) REN
SCHEMBL90405 0.77 TSHR (0.40) RENTSHRKDM4EPOLBTP53
SCHEMBL88888 0.77 TSHR (0.40) RENTSHRKDM4EPOLBTP53
SCHEMBL1911383 0.77 TSHR (0.46) RENTSHRKDM4EPOLBTP53

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 1/4885TSHR 1095/4885KDM4E 1650/4885

“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.