SCHEMBL12883235

SCHEMBL12883235

CNC(=O)[C@@H](N)CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
CIT O14578 2/20 0.38
ROCK2 O75116 2/20 0.36
AAK1 Q2M2I8 2/20 0.36
HIPK4 Q8NE63 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
CACNA1B Q00975 1/20 0.31
MMP1 P03956 2/20 0.30
MMP3 P08254 2/20 0.30
MMP9 P14780 2/20 0.30
CNR2 P34972 2/20 0.30
MMP2 P08253 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL14167270 1.00 DPP4 (0.41) DPP4CITROCK2AAK1HIPK4
SCHEMBL24814569 0.80 NOS2 (0.30)
SCHEMBL14347046 0.78 DPP7 (0.39) DPP4CITROCK2AAK1HIPK4
SCHEMBL25530472 0.78 DPP4 (0.36) DPP4CITROCK2AAK1HIPK4
SCHEMBL24815290 0.77 DPP7 (0.42) DPP4MMP1MMP3MMP2
SCHEMBL23836662 0.75 ALDH1A1 (0.47) DPP4CITROCK2
SCHEMBL24996110 0.75 CYP2D6 (0.43) DPP4CITROCK2AAK1CACNA1B
SCHEMBL18774906 0.75 CASR (0.38) DPP4CITROCK2AAK1HIPK4
SCHEMBL18712170 0.75 ALDH1A1 (0.47) DPP4CITROCK2
SCHEMBL18774908 0.75 DPP4 (0.37) DPP4CITROCK2AAK1HIPK4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718266-B9 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-09-28 EP claimed
EP-3072886-A1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2016-09-28 EP claimed
EP-2718266-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-05-25 EP claimed
US-20160137606-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (US) 2016-05-19 US claimed
US-9321727-B2 Pyridine derivatives as agonists of the CB2 receptor HOFFMANN-LA ROCHE INC. (US) 2016-04-26 US claimed
US-9290451-B2 2016-03-22 US claimed
EP-2718266-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP claimed
WO-2012168350-A1 PYRIDIN- 2 -AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO claimed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 US claimed
EP-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
EP-2718266-B9 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
EP-3072886-A1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2016-09-28 EP disclosed
EP-2718266-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2016-05-25 EP disclosed
US-20160137606-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (US) 2016-05-19 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 US disclosed
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 US disclosed
WO-2008157751-A2 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-24 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 (4 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 DPP4 4359/4885CIT 3177/4885ROCK2 4507/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 DPP4 4359/4885CIT 3177/4885ROCK2 4507/4885
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 DPP4 2226/4885CIT 3837/4885ROCK2 3369/4885
US-20160137606-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 DPP4 2226/4885CIT 3837/4885ROCK2 3369/4885

“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.