SCHEMBL2146881

SCHEMBL2146881

CC(C)(C)OC(=O)N1CCC(CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.47
▸ SCN9A Q15858 1/20 0.46
▸ GPR119 Q8TDV5 11/20 0.45
▸ CTSS P25774 2/20 0.42
▸ CTSK P43235 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.39
▸ FAAH O00519 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
SCHEMBL2146825 0.92 USP30 (0.44) USP30SCN9AGPR119CTSSCTSK
SCHEMBL16520143 0.92 USP30 (0.48) USP30GPR119CSF1REPHX2AAK1
SCHEMBL13642453 0.88 USP30 (0.49) USP30SCN9AGPR119CSF1RKDR
SCHEMBL13584620 0.88 USP30 (0.41) USP30SCN9AGPR119CTSSCTSK
SCHEMBL16520031 0.86 GPR119 (0.53) USP30SCN9AGPR119
SCHEMBL19336712 0.85 USP30 (0.47) USP30SCN9AGPR119CSF1RKDR
SCHEMBL6899662 0.85 USP30 (0.49) USP30SCN9AGPR119CTSSEPHX2
SCHEMBL16520043 0.85 USP30 (0.47) USP30SCN9AGPR119CSF1RKDR
SCHEMBL34465736 0.82 USP30 (0.49) USP30GPR119EPHX2
SCHEMBL2146770 0.81 SCN9A (0.52) SCN9AGPR119CTSSCTSKCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2840083-B1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-09-13 — — EP disclosed
EP-2840083-B1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-09-13 — — EP disclosed
US-9585889-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2017-03-07 — — US disclosed
US-9585889-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2017-03-07 — — US disclosed
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2016-08-11 — — US disclosed
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2016-08-11 — — US disclosed
US-9328118-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-05-03 — — 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
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-07 — — US disclosed
EP-2840083-A1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2015-02-25 — — EP disclosed
EP-2840083-A1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2015-02-25 — — EP 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
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 (3 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 1503/4885SCN9A 938/4885GPR119 1194/4885
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND CTSS, CTSV, CTSB USP30 2758/4885SCN9A 3190/4885GPR119 4129/4885
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND CTSS, CTSV, CTSB USP30 3065/4885SCN9A 2973/4885GPR119 4124/4885

“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.

Send feedback