SCHEMBL3244479

SCHEMBL3244479

O=C(NC1CCCC1)c1ccc(Cl)nc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
GRM5 P41594 3/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CYP1A2 P05177 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL1969968 0.98 GRM5 (0.57) ALDH1A1GRM5NPC1RAB9ACYP1A2
SCHEMBL3411736 0.97 ALDH1A1 (0.57) ALDH1A1GRM5NPC1RAB9A
SCHEMBL1116580 0.94 ALDH1A1 (0.56) ALDH1A1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL2964744 0.87 SMYD3 (0.54) ALDH1A1
SCHEMBL31247744 0.84 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL31247723 0.82 HPGDS (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3796879 0.82 ALDH1A1 (0.68) ALDH1A1GRM5NPC1RAB9AHPGD
SCHEMBL5424850 0.81 NPC1 (0.62) ALDH1A1GRM5NPC1RAB9ACYP1A2
SCHEMBL7239293 0.81 GRM5 (0.59) ALDH1A1GRM5NPC1RAB9ACYP1A2
SCHEMBL27252896 0.81 NPC1 (0.55) GRM5NPC1RAB9ACYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575204-B2 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2186516-B1 Novel benzazepine derivative GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
EP-2258687-B1 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8252818-B2 Nicotinamide derivatives useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-08-28 US disclosed
EP-2258687-A1 Nicotinamide derivates useful as P38 inhibitors Glaxosmithkline LLC (US) 2010-12-08 EP disclosed
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS ASTON NICOLA MARY 2010-08-26 US disclosed
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-08-26 US disclosed
EP-2186516-A1 Novel benzazepine derivative Glaxo Group Limited (GB) 2010-05-19 EP disclosed
US-7709506-B2 Nicotinamide derivatives useful as p38 inhibitors GLAXOSMITHKLINE LLC (US) 2010-05-04 US disclosed
EP-1732561-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-12-20 EP disclosed
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors SMITHKLINE BEECHAM CORPORATION 2006-12-07 US disclosed
US-20060264479-A1 Nicotinamide Derivatives Useful as p38 Inhibitors SMITHKLINE BEECHAM CORPORATION 2006-11-23 US disclosed
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2006-10-26 US disclosed
CN-1726042-A Benzo[d]azepine derivatives for the treatment of neurological disorders GLAXO GROUP LTD (GB) 2006-01-25 CN disclosed
CN-1703402-A Pyridine derivatives as CB2 receptor modulators GLAXO GROUP LTD (GB) 2005-11-30 CN disclosed
EP-1565442-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-08-24 EP disclosed
WO-2005074939-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2005-08-18 WO disclosed
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors GLAXOSMITHKLINE LLC 2005-08-11 US disclosed
WO-2004029026-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-04-08 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 (6 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-20060264479-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 ALDH1A1 723/4885GRM5 3844/4885NPC1 1358/4885
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 ALDH1A1 3644/4885GRM5 263/4885NPC1 1143/4885
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 ALDH1A1 539/4885GRM5 3895/4885NPC1 1409/4885
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 ALDH1A1 723/4885GRM5 3844/4885NPC1 1358/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 ALDH1A1 539/4885GRM5 3895/4885NPC1 1409/4885
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors MAPK1, MAPK7, MAPK6 ALDH1A1 723/4885GRM5 3844/4885NPC1 1358/4885

“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.