SCHEMBL4153008

SCHEMBL4153008

CN(C(N)=O)C(=O)[CH]c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1C3 P42330 1/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
MCL1 Q07820 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1B1 Q16678 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HDAC3 O15379 1/20 0.36

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
SCHEMBL7666281 0.81 NPC1 (0.57) NPC1L3MBTL1GLATDP1ALOX5
SCHEMBL11463461 0.81 NPC1 (0.57) NPC1L3MBTL1GLATDP1ALOX5
SCHEMBL5613928 0.79 NPC1 (0.44) NPC1L3MBTL1AKR1C3GLATDP1
SCHEMBL4986792 0.77 NPC1 (0.47) NPC1L3MBTL1AKR1C3GLATDP1
SCHEMBL5664145 0.74 LTA4H (0.40) NPC1L3MBTL1AKR1C3GLATDP1
SCHEMBL176636 0.74 MAPT (0.48) L3MBTL1AKR1C3GLATDP1MCL1
SCHEMBL11464381 0.74 MAPT (0.50) NPC1L3MBTL1TDP1TRPM8CYP2C19
SCHEMBL7104370 0.74 MAPT (0.50) NPC1L3MBTL1TDP1TRPM8CYP2C19
SCHEMBL4986055 0.73 NPC1 (0.51) NPC1L3MBTL1AKR1C3GLATDP1
SCHEMBL3136211 0.73 NPC1 (0.40) NPC1ALOX5CYP2C19RAB9AKMT2A

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 33 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-3072886-A1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2016-09-28 EP disclosed
EP-2718266-B9 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (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-6787522-B2 BACTERIAL POLYPEPTIDE DEFORMYLASE (PDF) INHIBITORS, N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS (GB) 2004-09-07 US disclosed
EP-1052984-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2004-05-12 EP disclosed
US-20020165167-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-11-07 US disclosed
US-6423690-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-07-23 US disclosed
EP-1052984-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-22 EP disclosed
WO-1999039704-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-12 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-20120316147-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 NPC1 1523/4885L3MBTL1 4222/4885AKR1C3 481/4885
US-20160137606-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 NPC1 1523/4885L3MBTL1 4222/4885AKR1C3 481/4885
US-20020165167-A1 Antibacterial agents CBR1, CBR3, SIGMAR1 NPC1 1086/4885L3MBTL1 56/4885AKR1C3 295/4885

“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.