SCHEMBL1632030

SCHEMBL1632030

O=C1NC(=O)C2(CC[N]CC2)N1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 10/20 0.40
IDO1 P14902 4/20 0.35
TDO2 P48775 4/20 0.35
DDB1 Q16531 2/20 0.35
SCN9A Q15858 2/20 0.35

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
SCHEMBL8775591 0.83
SCHEMBL630549 0.78 CRBN (0.43) CRBNDDB1
SCHEMBL351324 0.76 PDE7A (0.50) CRBN
SCHEMBL22422289 0.76 PDE7A (0.50) CRBN
SCHEMBL11870539 0.76 PDE7A (0.50) CRBN
SCHEMBL551553 0.76 PDE7A (0.50) CRBN
SCHEMBL573359 0.74 CRBN (0.41) CRBNIDO1TDO2DDB1SCN9A
SCHEMBL239415 0.74 CRBN (0.41) CRBNIDO1TDO2DDB1SCN9A
SCHEMBL21580713 0.73 CRBN (0.40) CRBNIDO1TDO2DDB1SCN9A
Ammonia Solution, Strong SCHEMBL1763719 0.73 CRBN (0.40) CRBNIDO1TDO2DDB1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO claimed
EP-2387573-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS ORGANON BIOSCIENCES NEDERLAND B V (NL) 2013-07-31 EP disclosed
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO disclosed
EP-2387573-A1 6-PHENYL-LH-IMIDAZO Ý4, 5-C¨PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS N.V. Organon (NL) 2011-11-23 EP disclosed
US-20110253004-A1 RAILCAR PRIMARY SUSPENSION KAWASAKI JUKOGYO KABUSHIKI KAISHA (JP) 2011-10-20 US disclosed
US-8026236-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2011-09-27 US disclosed
US-7932251-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2011-04-26 US disclosed
EP-2178873-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS ORGANON NV (NL) 2010-12-22 EP disclosed
US-20100184761-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON 2010-07-22 US disclosed
WO-2010081859-A1 6-PHENYL-LH-IMIDAZO [4, 5-C] PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS N.V. ORGANON (NL) 2010-07-22 WO disclosed
WO-2009010491-A1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS N.V. ORGANON (NL) 2009-01-22 WO disclosed
US-20070249587-A1 Aromatic-Ring-Fused Pyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-10-25 US disclosed
EP-1806347-A1 AROMATIC-RING-FUSED PYRIMIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2007-07-11 EP disclosed
US-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US disclosed
US-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2003-11-13 US disclosed
US-6613770-B1 Neurokinin antagonists such as 3-(4-Isopropyl-piperazin-yl-methyl)-2-phenyl-quinoline-4-carboxylic acid (1,2-dimethyl-propyl)-amide dihydrochloride, used for prophylaxis of respiratory and gastrointerstinal disorders SMITHKLINE BEECHAM S.P.A. (IT) 2003-09-02 US disclosed
EP-1131294-A1 QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP disclosed
EP-1131295-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP disclosed
WO-2000031037-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 WO disclosed
WO-2000031038-A1 QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 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-20100184761-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSB CRBN 854/4885IDO1 1614/4885TDO2 3779/4885
US-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNH2, KCNA6, KCNA3 CRBN 1755/4885IDO1 419/4885TDO2 1510/4885
US-20070249587-A1 Aromatic-Ring-Fused Pyrimidine Derivative GPR119, NOD1, IRS1 CRBN 3540/4885IDO1 839/4885TDO2 981/4885

“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.