SCHEMBL2285522

SCHEMBL2285522

CC(C)(C)OC(=O)N1CCC(c2n[nH]c(=O)o2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ THRB P10828 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ HPGDS O60760 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39

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
SCHEMBL408380 0.93 MAPT (0.52) MAPTTHRBKDM4EHTTSMN1; SMN2
SCHEMBL13567855 0.79 ALDH1A1 (0.56) MAPTHTTGAAMEN1KMT2A
SCHEMBL19779464 0.76 HTT (0.56) MAPTTHRBKDM4EHTTHPGDS
SCHEMBL14683780 0.76 HPGDS (0.48) MAPTTHRBKDM4EHPGDSSMN1; SMN2
SCHEMBL2394684 0.76 HPGDS (0.50) MAPTTHRBKDM4EHTTHPGDS
SCHEMBL2280429 0.76 HPGDS (0.50) MAPTTHRBKDM4EHTTHPGDS
SCHEMBL20722021 0.75 SMN1; SMN2 (0.48) MAPTTHRBKDM4EHPGDSSMN1; SMN2
SCHEMBL14683747 0.75 HPGDS (0.47) MAPTTHRBKDM4EHPGDSSMN1; SMN2
SCHEMBL661532 0.74 HSD11B1 (0.55) MAPTTHRBKDM4EHPGDSSMN1; SMN2
SCHEMBL14683633 0.74 FAAH (0.54) MAPTTHRBKDM4EHPGDSSMN1; SMN2

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-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-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
EP-2358202-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-08-24 — — EP disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 — — WO disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 — — 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 MAPT 4719/4885THRB 2292/4885KDM4E 2776/4885
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 MAPT 4800/4885THRB 3324/4885KDM4E 885/4885

“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.

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