SCHEMBL10167155

SCHEMBL10167155

[C-]#[N+]c1ccc(C2(NC(=O)OC(C)(C)C)CCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.40
AKT2 P31751 1/20 0.40
DRD2 P14416 5/20 0.38
PDE2A O00408 7/20 0.35
RORC P51449 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
SSTR4 P31391 1/20 0.32
P2RX7 Q99572 1/20 0.32
KIT P10721 1/20 0.32

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
SCHEMBL12583791 0.97 DRD2 (0.38) AKT1AKT2DRD2PDE2ARORC
SCHEMBL10167172 0.85 DRD2 (0.37) AKT1AKT2DRD2RORC
SCHEMBL10226697 0.85 DRD2 (0.35) AKT1AKT2DRD2RORC
SCHEMBL14161397 0.83 AKT1 (0.42) AKT1AKT2DRD2PDE2ARORC
SCHEMBL13047444 0.82 AKT1 (0.41) AKT1AKT2DRD2PDE2ARORC
SCHEMBL12134686 0.82 AKT1 (0.41) AKT1AKT2DRD2PDE2ARORC
SCHEMBL10167156 0.82 DRD2 (0.51) AKT1AKT2DRD2CNR1CNR2
SCHEMBL360875 0.82 AKT1 (0.45) AKT1AKT2DRD2PDE2ARORC
SCHEMBL17040898 0.82 SSTR4 (0.47) AKT1AKT2CNR1CNR2SSTR4
SCHEMBL10226580 0.82 DRD2 (0.33) AKT1DRD2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-20130287763-A1 COMBINATION THERAPY FOR TREATING CANCER COMPRISING AN IGF-1R INHIBITOR AND AN AKT INHIBITOR MERCK SHARP & DOHME CORP. (US) 2013-10-31 US disclosed
US-8536193-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2013-09-17 US disclosed
US-8288407-B2 Substituted naphthyridine compounds as inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2011-06-30 US disclosed
US-20110082135-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2011-04-07 US disclosed
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-7576209-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-20080161317-A1 Inhibitors of Akt activity MERCK SHARP & DOHME LLC 2008-07-03 US 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 (7 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-20080161317-A1 Inhibitors of Akt activity PIK3CD, PIK3CA, PIK3CG AKT1 12/4885AKT2 4/4885DRD2 3852/4885
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG AKT1 12/4885AKT2 4/4885DRD2 3852/4885
US-20130287763-A1 COMBINATION THERAPY FOR TREATING CANCER COMPRISING AN IGF-1R INHIBITOR AND AN AKT INHIBITOR IGF1R, IGFBP1, IGFBP2 AKT1 65/4885AKT2 28/4885DRD2 4750/4885
US-20110082135-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, AKT1S1, AKT1 AKT1 3/4885AKT2 5/4885DRD2 3225/4885
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG AKT1 12/4885AKT2 4/4885DRD2 3852/4885
US-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB AKT1 11/4885AKT2 7/4885DRD2 4382/4885
US-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG AKT1 9/4885AKT2 5/4885DRD2 4566/4885

“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.