SCHEMBL6899304

SCHEMBL6899304

CC(C)(C)OC(=O)N1CCC(CCOc2ncc(Br)cc2C(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.51
SCN9A Q15858 1/20 0.47
GPR119 Q8TDV5 9/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
FAAH O00519 1/20 0.43
PIK3CA P42336 1/20 0.43
CHEK2 O96017 1/20 0.42
EPHX2 P34913 1/20 0.42
CTSS P25774 2/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42

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
SCHEMBL16520051 0.91 SSTR4 (0.52) SSTR4GPR119FNTAFNTBFAAH
SCHEMBL16520083 0.90 SSTR4 (0.47) SSTR4SCN9AGPR119PIK3CACHEK2
SCHEMBL16520058 0.88 SSTR4 (0.49) SSTR4GPR119FNTAFNTBPIK3CA
SCHEMBL13642313 0.87 SCN9A (0.46) SCN9AGPR119FNTAFNTBFAAH
SCHEMBL2146844 0.86 SSTR4 (0.50) SSTR4CTSS
SCHEMBL22906725 0.85 SSTR4 (0.44) SSTR4SCN9AGPR119PIK3CACTSS
SCHEMBL16520144 0.85 SSTR4 (0.48) SSTR4GPR119PIK3CACTSSIDO1
SCHEMBL16520108 0.85 SSTR4 (0.48) SSTR4GPR119PIK3CACTSSIDO1
SCHEMBL2146770 0.83 SCN9A (0.52) SCN9AGPR119CHEK2EPHX2CTSS
SCHEMBL16519957 0.82 SCN9A (0.51) SCN9AGPR119FAAHEPHX2

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 16 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
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

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 SSTR4 2625/4885SCN9A 938/4885GPR119 1194/4885
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND CTSS, CTSV, CTSB SSTR4 3377/4885SCN9A 3190/4885GPR119 4129/4885
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND CTSS, CTSV, CTSB SSTR4 3310/4885SCN9A 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.