SCHEMBL89721

SCHEMBL89721

CC(C)(C)OC(=O)NC1(c2ccccc2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.50
AKT1 P31749 2/20 0.44
AKT2 P31751 1/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
TACR3 P29371 1/20 0.41
AKR1C1 Q04828 1/20 0.41
POLB P06746 1/20 0.41
HDAC4 P56524 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL17040898 0.97 SSTR4 (0.47) SSTR4AKT1AKT2CNR1CNR2
SCHEMBL2554955 0.94 AKT1 (0.47) SSTR4AKT1AKT2CNR1CNR2
SCHEMBL3892253 0.88 OPRM1 (0.45) SSTR4AKT1AKT2CNR1CNR2
SCHEMBL6211955 0.87 MAPT (0.46) SSTR4AKT1AKT2CNR1CNR2
Hydrochloric Acid SCHEMBL27552695 0.87 OPRM1 (0.44) SSTR4AKT1AKT2CNR1CNR2
SCHEMBL1412064 0.87 CNR1 (0.44) SSTR4AKT1AKT2CNR1CNR2
SCHEMBL12133598 0.86 AKT1 (0.45) SSTR4AKT1AKT2CNR1CNR2
SCHEMBL16420447 0.86 CNR1 (0.47) AKT1AKT2CNR1CNR2POLB
SCHEMBL25156379 0.85 AKT1 (0.51) AKT1AKT2CNR1CNR2TACR3
SCHEMBL89859 0.85 AKT1 (0.42) SSTR4AKT1AKT2CNR1CNR2

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 SSTR4 905/4885AKT1 4747/4885AKT2 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.