SCHEMBL89859

SCHEMBL89859

CC(C)(C)OC(=O)NC1(c2ccncc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.42
CYP17A1 P05093 5/20 0.41
AKT2 P31751 1/20 0.39
SLC6A9 P48067 1/20 0.38
PDE2A O00408 3/20 0.37
CYP19A1 P11511 2/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
SSTR4 P31391 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
DRD2 P14416 1/20 0.36
P2RX7 Q99572 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
SCHEMBL23778486 0.94 AKT1 (0.45) AKT1CYP17A1AKT2PDE2ACYP19A1
SCHEMBL89721 0.85 SSTR4 (0.50) AKT1AKT2CNR1CNR2SSTR4
SCHEMBL12583795 0.83 DRD2 (0.51) AKT1AKT2SLC6A9CNR1CNR2
SCHEMBL1141296 0.83 NPC1 (0.45) AKT1AKT2PDE2ASSTR4RAB9A
SCHEMBL17040898 0.82 SSTR4 (0.47) AKT1AKT2SLC6A9CNR1CNR2
SCHEMBL17321373 0.82 RORC (0.41) AKT1AKT2PDE2ASSTR4DRD2
SCHEMBL6211955 0.82 MAPT (0.46) AKT1AKT2PDE2ACNR1CNR2
SCHEMBL14161397 0.81 AKT1 (0.42) AKT1AKT2SLC6A9PDE2ACNR1
SCHEMBL17321836 0.81 AKT1 (0.40) AKT1AKT2PDE2ACNR1CNR2
SCHEMBL17321812 0.81 AKT1 (0.40) AKT1AKT2LMNARAB9ADRD2

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 AKT1 4747/4885CYP17A1 556/4885AKT2 4642/4885

“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.