SCHEMBL89617

SCHEMBL89617

CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H](C(=O)NC(CCO)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.44
KIT P10721 1/20 0.42
STS P08842 1/20 0.41
NAMPT P43490 1/20 0.41
ATM Q13315 1/20 0.40
REN P00797 1/20 0.39
MAPK1 P28482 1/20 0.39
GLS O94925 1/20 0.39

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
SCHEMBL89157 0.92 CCR5 (0.43) CCR5KITSTSNAMPTATM
SCHEMBL89862 0.85 RECQL (0.53) ATM
SCHEMBL89313 0.81 MAPK1 (0.46) STSNAMPTATMMAPK1
SCHEMBL90229 0.77 RECQL (0.51) ATM
SCHEMBL89545 0.77 ALDH1A1 (0.51) STS
SCHEMBL90006 0.76 RORC (0.44) STSNAMPT
SCHEMBL24350375 0.76 CCR5 (0.45) CCR5STSNAMPTATM
SCHEMBL89416 0.75 NR1H2 (0.41) MAPK1
SCHEMBL3386859 0.75 PTGFR (0.39) CCR5KITSTSATM
SCHEMBL3385956 0.75 PTGFR (0.39) CCR5KITSTSATM

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 CCR5 1960/4885KIT 1604/4885STS 2660/4885

“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.