SCHEMBL4184465

SCHEMBL4184465

COc1cc(OCc2ccccc2)ccc1C#N

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.70
AR P10275 3/20 0.56
IMPDH2 P12268 1/20 0.54
MAOA P21397 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
ALOX5 P09917 1/20 0.49

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
SCHEMBL3865512 0.89 MAOB (0.77) MAOBIMPDH2MAOAMRGPRX4ALOX5
SCHEMBL6288611 0.88 MAOB (0.55) MAOBARIMPDH2MAOA
SCHEMBL18297720 0.85 MAOB (0.54) MAOBMAOAALOX5
SCHEMBL7609283 0.85 MAOB (0.54) MAOBMAOAMRGPRX4ALOX5
SCHEMBL3648539 0.83 MAOB (1.00) MAOBIMPDH2MAOAMRGPRX4ALOX5
SCHEMBL22498605 0.82 MAOB (0.70) MAOBMAOA
SCHEMBL14677247 0.82 MAOB (0.74) MAOBIMPDH2MAOAMRGPRX4ALOX5
SCHEMBL21124838 0.82 MAOB (0.74) MAOBIMPDH2MAOAMRGPRX4ALOX5
SCHEMBL28402703 0.82 MAOB (0.65) MAOBIMPDH2MAOAMRGPRX4ALOX5
SCHEMBL18284187 0.82 MAOB (0.50) MAOBMAOAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1581515-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO INC (US) 2007-10-10 EP disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
US-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2005-07-14 US disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 US disclosed
WO-2005009994-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-6849636-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2005-02-01 US disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 US disclosed
WO-2004058730-A2 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 WO disclosed
WO-2004058741-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME LLC 2004-07-08 US 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-20050020611-A1 Compounds NQO1, NAMPT, NNT MAOB 134/4885AR 2383/4885IMPDH2 132/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT MAOB 134/4885AR 2383/4885IMPDH2 132/4885
US-20050154038-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 MAOB 1498/4885AR 1370/4885IMPDH2 277/4885
US-20040133011-A1 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 MAOB 1563/4885AR 1520/4885IMPDH2 271/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT MAOB 134/4885AR 2383/4885IMPDH2 132/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 MAOB 1498/4885AR 1370/4885IMPDH2 277/4885

“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.