SCHEMBL2585836

SCHEMBL2585836

CCOC(=O)C1=CC=CN(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 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
Hydrochloric Acid SCHEMBL2582658 0.98 KMT2A (0.38) TSHRCA12CA1CA2CA7
SCHEMBL2582297 0.87 ALDH1A1 (0.41) TSHRESR1KDM4ELMNACYP3A4
Hydrochloric Acid SCHEMBL2581502 0.86 ALDH1A1 (0.40) TSHRESR1KDM4ELMNACYP3A4
SCHEMBL23581909 0.83 ESR1 (0.48) TSHRESR1KDM4EMAPTLMNA
SCHEMBL3043749 0.82 TSHR (0.37) TSHRCA12CA1CA2CA7
SCHEMBL27463224 0.82 TSHR (0.37) TSHRCA12CA1CA2CA7
SCHEMBL9805766 0.81 CHRM3 (0.46) TSHRCA12CA1CA2CA7
Iodide SCHEMBL28802571 0.79 CHRM3 (0.45) TSHRKDM4ELMNAGAA
SCHEMBL17674060 0.77 NPC1 (0.36) TSHRKDM4EMAPTLMNAHPGD
SCHEMBL28454809 0.76 RAB9A (0.33) TSHRCA12CA1CA2CA7

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
US-20120108553-A1 Combination Therapy with Non-Selective COX Inhibitors to Prevent COX-Related Gastric Injuries CORTRIA CORPORATION (US) 2012-05-03 US claimed
US-20110269724-A1 Combination Therapy with Non-Selective COX Inhibitors to Prevent COX-Related Gastric Injuries CORTRIA CORPORATION (US) 2011-11-03 US claimed
EP-1147086-B9 COMPOSITIONS FOR THE TREATMENT OF SKIN DISEASES PHARMENA SP Z O O (PL) 2010-09-22 EP claimed
EP-2203055-A1 1-METHYL NICOTINAMIDE AND DERIVATIVES FOR TREATMENT OF GASTRIC INJURY Cortria Corporation (US) 2010-07-07 EP claimed
US-20090118225-A1 1-Methyl Nicotinamide and Derivatives for Treatment of Gastric Injury CORTRIA CORPORATION (US) 2009-05-07 US claimed
WO-2009042440-A1 1-METHYL NICOTINAMIDE AND DERIVATIVES FOR TREATMENT OF GASTRIC INJURY CORTRIA CORPORATION (US) 2009-04-02 WO claimed
EP-1919466-A2 FORMULATIONS FOR TREATMENT OF LIPOPROTEIN ABNORMALITIES COMPRISING A STATIN AND A METHYLNICOTINAMIDE DERIVATIVE PHARMENA NORTH AMERICA INC. (CA) 2008-05-14 EP claimed
US-20070259861-A1 Combination therapy with non-selective COX inhibitors to prevent COX-related gastric injuries PHARMENA NORTH AMERICA INC. (CA) 2007-11-08 US claimed
WO-2007074406-A2 FORMULATIONS FOR TREATMENT OF LIPOPROTEIN ABNORMALITIES COMPRISING A STATIN A STATIN AND A METHYLNICOTINAMIDE DERIVATIVE PHARMENA NORTH AMERICA INC. (CA) 2007-07-05 WO claimed
EP-1147086-B1 COMPOSITIONS FOR THE TREATMENT OF SKIN DISEASES TECHNICAL UNIVERSITY OF LODZ (PL) 2005-03-30 EP claimed
EP-1147086-A1 COMPOSITIONS FOR THE TREATMENT OF SKIN DISEASES Technical University of Lodz (PL) 2001-10-24 EP claimed
WO-2000040559-A1 COMPOSITIONS FOR THE TREATMENT OF SKIN DISEASES TECHNICAL UNIVERSITY OF LODZ (PL) 2000-07-13 WO claimed
US-8481570-B2 1-methylnicotinaide derivatives and formulations of treatment of lipoprotein abnormalities CORTRIA CORPORATION (US) 2013-07-09 US disclosed
US-20120245115-A1 1-Methylnicotinaide Derivatives and Formulations of Treatment of Lipoprotein Abnormalities CORTRIA CORPORATION (US) 2012-09-27 US disclosed
US-8211922-B2 1-methylnicotinamide derivatives and formulations for treatment of lipoprotein abnormalities CORTRIA CORPORATION (US) 2012-07-03 US disclosed
US-20120108553-A1 Combination Therapy with Non-Selective COX Inhibitors to Prevent COX-Related Gastric Injuries CORTRIA CORPORATION (US) 2012-05-03 US disclosed
US-20070021379-A1 Methylnicotinamide derivatives and formulations for treatment of lipoprotein abnormalities PHARMENA NORTH AMERICA INC. (CA) 2007-01-25 US disclosed
EP-1147086-B1 COMPOSITIONS FOR THE TREATMENT OF SKIN DISEASES TECHNICAL UNIVERSITY OF LODZ (PL) 2005-03-30 EP disclosed
EP-1147086-A1 COMPOSITIONS FOR THE TREATMENT OF SKIN DISEASES Technical University of Lodz (PL) 2001-10-24 EP disclosed
WO-2000040559-A1 COMPOSITIONS FOR THE TREATMENT OF SKIN DISEASES TECHNICAL UNIVERSITY OF LODZ (PL) 2000-07-13 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-20070259861-A1 Combination therapy with non-selective COX inhibitors to prevent COX-related gastric injuries PTGS1, PTGS2, PTGES2 TSHR 3705/4885CA12 2299/4885CA1 1586/4885
US-20070021379-A1 Methylnicotinamide derivatives and formulations for treatment of lipoprotein abnormalities HMGCR, NAMPT, NNMT TSHR 3818/4885CA12 4796/4885CA1 4884/4885
US-20110269724-A1 Combination Therapy with Non-Selective COX Inhibitors to Prevent COX-Related Gastric Injuries PTGS1, PTGS2, PTGES2 TSHR 3705/4885CA12 2299/4885CA1 1586/4885
US-20090118225-A1 1-Methyl Nicotinamide and Derivatives for Treatment of Gastric Injury NNMT, NAMPT, NNT TSHR 3773/4885CA12 3202/4885CA1 3557/4885
US-20120108553-A1 Combination Therapy with Non-Selective COX Inhibitors to Prevent COX-Related Gastric Injuries PTGS1, PTGS2, PTGES2 TSHR 3705/4885CA12 2299/4885CA1 1586/4885
US-20120245115-A1 1-Methylnicotinaide Derivatives and Formulations of Treatment of Lipoprotein Abnormalities HMGCR, NNMT, NAMPT TSHR 3953/4885CA12 4816/4885CA1 4878/4885

“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.