SCHEMBL3836833

SCHEMBL3836833

O=C(O)NC1(c2ccc(C(=O)C(=O)c3ccccc3)cc2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 9/20 0.48
CES1 P23141 8/20 0.48
SSTR4 P31391 1/20 0.43
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
TACR3 P29371 1/20 0.40
AKT1 P31749 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
RAB9A P51151 1/20 0.39
VNN1 O95497 1/20 0.38

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
SCHEMBL3715587 0.93 CES2 (0.52) CES2CES1SSTR4HDAC3HDAC1
SCHEMBL2712662 0.86 SSTR4 (0.53) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL2035077 0.83 RAB9A (0.35) CES2CES1SSTR4HDAC3HDAC1
SCHEMBL2035076 0.83 RAB9A (0.35) CES2CES1SSTR4HDAC3HDAC1
SCHEMBL3560390 0.83 SSTR4 (0.56) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL2699856 0.82 MAPT (0.40) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL6620132 0.81 SSTR4 (0.59) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL4734872 0.81 MAPT (0.49) SSTR4HDAC3HDAC1HDAC2HDAC6
SCHEMBL12133598 0.81 AKT1 (0.45) CES2CES1SSTR4HDAC3HDAC1
SCHEMBL13254923 0.79 SSTR4 (0.42) SSTR4HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104669-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
US-8288407-B2 Substituted naphthyridine compounds as inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
EP-2104669-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2009-09-30 EP 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
WO-2008070016-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2008-06-12 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 (2 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 CES2 3656/4885CES1 2286/4885SSTR4 3864/4885
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG CES2 3656/4885CES1 2286/4885SSTR4 3864/4885

“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.