SCHEMBL1352136

SCHEMBL1352136

CC(C)(C)N(C(=O)O)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.43
HSD11B1 P28845 10/20 0.39
HDAC4 P56524 1/20 0.39
DRD2 P14416 2/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
SLC6A2 P23975 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ADRA2A P08913 3/20 0.36
OPRK1 P41145 3/20 0.36
HTR2B P41595 3/20 0.36
LMNA P02545 2/20 0.36
ADRB2 P07550 2/20 0.36
DRD4 P21917 2/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL2025987 0.97 CCR2 (0.43) CCR2HSD11B1HDAC4DRD2SLC6A4
SCHEMBL2502531 0.94 CCR2 (0.42) CCR2HSD11B1HDAC4DRD2SLC6A4
SCHEMBL2189905 0.85 ALDH1A1 (0.36) OPRM1ADORA3ALDH1A1
SCHEMBL2032267 0.85 OPRM1 (0.37) MEN1KMT2AOPRK1LMNAOPRM1
SCHEMBL2052341 0.82 OPRM1 (0.32) OPRM1
SCHEMBL1352509 0.81 OPRL1 (0.39) HSD11B1MEN1KMT2AOPRM1CYP1A2
SCHEMBL1900125 0.81 CTSL (0.32) OPRM1CYP2C9
SCHEMBL2030574 0.81 CES2 (0.42) OPRK1OPRM1CES2RAB9A
SCHEMBL2028947 0.80 GRM5 (0.37) OPRM1FFAR4NPSR1
SCHEMBL2507297 0.79 MAPT (0.39) HSD11B1MEN1KMT2ALMNAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288407-B2 Substituted naphthyridine compounds as inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2012-10-16 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
EP-2299825-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-03-30 EP 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 (5 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 CCR2 4607/4885HSD11B1 2742/4885HDAC4 487/4885
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG CCR2 4607/4885HSD11B1 2742/4885HDAC4 487/4885
US-20110082135-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, AKT1S1, AKT1 CCR2 3283/4885HSD11B1 2491/4885HDAC4 630/4885
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG CCR2 4607/4885HSD11B1 2742/4885HDAC4 487/4885
US-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG CCR2 4403/4885HSD11B1 2507/4885HDAC4 618/4885

“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.