SCHEMBL3469434

SCHEMBL3469434

COc1ccc(C2(O)CCN(C(=O)OC(C)(C)C)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.48
CYP11B2 P19099 1/20 0.42
PIK3CD O00329 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MMP13 P45452 1/20 0.40
RORC P51449 3/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
BACE1 P56817 1/20 0.39
SCD5 Q86SK9 1/20 0.39
PIK3CA P42336 2/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ALK Q9UM73 1/20 0.38
ACACB O00763 2/20 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
SCHEMBL27210984 0.93 GPR119 (0.47) GPR119CYP11B2PIK3CDPDE4APDE4B
SCHEMBL29457438 0.93 GPR119 (0.47) GPR119CYP11B2PIK3CDPDE4APDE4B
SCHEMBL3024794 0.93 GPR119 (0.53) GPR119PIK3CDMMP13CTSDCTSE
SCHEMBL28548511 0.91 GPR119 (0.49) GPR119PIK3CDMMP13RORCCTSD
SCHEMBL29977161 0.91 GPR119 (0.49) GPR119PIK3CDMMP13RORCCTSD
SCHEMBL31283791 0.87 RORC (0.43) GPR119CYP11B2PDE4APDE4BPDE4C
SCHEMBL2790975 0.84 ALDH1A1 (0.40)
SCHEMBL25262553 0.83 JAK2 (0.44) GPR119CYP11B2PDE4APDE4BPDE4C
SCHEMBL30016374 0.83 GPR119 (0.49) GPR119PIK3CDMMP13CTSDCTSE
SCHEMBL26633616 0.83 GPR119 (0.49) GPR119PIK3CDMMP13CTSDCTSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358202-B1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME (US) 2016-06-15 EP disclosed
EP-2375904-B1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME (US) 2014-05-28 EP disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 GPR119 338/4885CYP11B2 2035/4885PIK3CD 3171/4885
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 GPR119 380/4885CYP11B2 3710/4885PIK3CD 2534/4885

“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.