SCHEMBL2146825

SCHEMBL2146825

CC(C)(C)OC(=O)N1CC(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C(F)(F)F)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.44
▸ AAK1 Q2M2I8 2/20 0.40
▸ GPR119 Q8TDV5 5/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PDE4B Q07343 1/20 0.34

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
SCHEMBL13584620 0.95 USP30 (0.41) USP30AAK1GPR119SCN9ACTSS
SCHEMBL2146881 0.92 USP30 (0.47) USP30AAK1GPR119SCN9ACTSS
SCHEMBL16520143 0.84 USP30 (0.48) USP30AAK1GPR119
SCHEMBL2154224 0.81 USP30 (0.44) USP30GPR119SCN9ACTSSCTSK
SCHEMBL13642453 0.80 USP30 (0.49) USP30AAK1GPR119SCN9A
SCHEMBL20893538 0.80 USP30 (0.47) USP30AAK1GPR119SCN9APRMT5
SCHEMBL16520033 0.79 SYK (0.40) CTSSCTSKHPGD
SCHEMBL15600400 0.78 CTSS (0.47) CTSSCTSKHPGD
SCHEMBL16520031 0.78 GPR119 (0.53) USP30GPR119SCN9A
SCHEMBL2146802 0.78 AAK1 (0.49) USP30AAK1SCN9APRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 — — US disclosed
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 — — US disclosed
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 — — US disclosed
EP-2523954-B1 1H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE-4- CARBONITRILE DERIVATIVES AS CATHEPSIN S INHIBITORS MERCK SHARP & DOHME (NL) 2014-04-16 — — EP disclosed
EP-2523954-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD Oss B.V. (NL) 2012-11-21 — — EP disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 — — US disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 — — US disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 — — US disclosed
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 — — WO disclosed
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 — — 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 (1 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-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSZ USP30 1503/4885AAK1 2097/4885GPR119 1194/4885

“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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