SCHEMBL2582297

SCHEMBL2582297

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 3/20 0.39
ESR1 P03372 3/20 0.39
CHRM1 P11229 2/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34

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 SCHEMBL2581502 0.98 ALDH1A1 (0.40) ALDH1A1LMNATSHRESR1CHRM1
SCHEMBL23581909 0.90 ESR1 (0.48) ALDH1A1LMNATSHRESR1CHRM1
SCHEMBL2585836 0.87 TSHR (0.38) LMNATSHRESR1CYP3A4KDM4E
Hydrochloric Acid SCHEMBL2582658 0.86 KMT2A (0.38) LMNATSHRESR1CYP3A4KDM4E
SCHEMBL9805766 0.78 CHRM3 (0.46) LMNATSHRCHRM1TDP1CHRM2
Iodide SCHEMBL28802571 0.77 CHRM3 (0.45) LMNATSHRCHRM1TDP1CHRM2
SCHEMBL3044281 0.77 ESR1 (0.42) ALDH1A1LMNATSHRESR1TDP1
SCHEMBL28408947 0.75 ALDH1A1 (0.52) ALDH1A1LMNATSHRESR1CHRM1
SCHEMBL468058 0.72 TSHR (0.37) TSHRTDP1MAPK1
SCHEMBL28702490 0.72 TSHR (0.37) TSHRTDP1MAPK1

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
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-2026651-A2 COMBINATION THERAPY WITH NON-SELECTIVE COX INHIBITORS TO PREVENT COX-RELATED GASTRIC INJURIES PHARMENA NORTH AMERICA INC. (CA) 2009-02-25 EP 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-2007103540-A2 COMBINATION THERAPY WITH NON-SELECTIVE COX INHIBITORS TO PREVENT COX-RELATED GASTRIC INJURIES PHARMENA NORTH AMERICA INC. (CA) 2007-09-13 WO 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
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 (5 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 ALDH1A1 725/4885LMNA 2772/4885TSHR 3705/4885
US-20110269724-A1 Combination Therapy with Non-Selective COX Inhibitors to Prevent COX-Related Gastric Injuries PTGS1, PTGS2, PTGES2 ALDH1A1 725/4885LMNA 2772/4885TSHR 3705/4885
US-20090118225-A1 1-Methyl Nicotinamide and Derivatives for Treatment of Gastric Injury NNMT, NAMPT, NNT ALDH1A1 521/4885LMNA 1590/4885TSHR 3773/4885
US-20120108553-A1 Combination Therapy with Non-Selective COX Inhibitors to Prevent COX-Related Gastric Injuries PTGS1, PTGS2, PTGES2 ALDH1A1 725/4885LMNA 2772/4885TSHR 3705/4885
US-20120245115-A1 1-Methylnicotinaide Derivatives and Formulations of Treatment of Lipoprotein Abnormalities HMGCR, NNMT, NAMPT ALDH1A1 1312/4885LMNA 121/4885TSHR 3953/4885

“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.