SCHEMBL3182249

SCHEMBL3182249

COc1cccc(C(O)C2CCCCN2)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A4 P31645 2/20 0.67
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL4781823 1.00 SLC6A3 (0.67) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL4781820 1.00 SLC6A3 (0.67) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL3180497 0.82 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL3184955 0.81 HIF1A (0.60) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL28321870 0.81 MEN1 (0.53) SLC6A3SLC6A2SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL20482078 0.80 MEN1 (0.56) SLC6A3SLC6A2SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL20482079 0.80 MEN1 (0.56) SLC6A3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL3179208 0.80 HIF1A (0.66) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL20828152 0.78 SLC6A2 (0.64) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10
SCHEMBL3179287 0.78 SLC6A2 (0.64) SLC6A3SLC6A2SLC6A4HIF1AHSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812031-B2 such as 2-Dimethylamino-4-phenylpyrimidine-5-carboxylic acid [2-hydroxy-2-(3-hydroxyphenyl)ethyl]methyl amide, used for the treatment of obesity, including obesity of the non-insulin-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-10-12 US disclosed
US-20100016357-A1 Use of Beta-Aminoalcohols for the Treatment of Inflammatory Disorders and Pain SOSEI R & D LTD. (GB) 2010-01-21 US disclosed
EP-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP disclosed
EP-1993544-A1 THE USE OF BETA-AMINOALCOHOLS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-11-26 EP disclosed
WO-2007102011-A1 THE USE OF BETA-AMINOALCOHOLS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-09-13 WO disclosed
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-02-22 US disclosed
EP-1718632-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-11-08 EP disclosed
WO-2005075458-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTORS ANTAGONISTS SANOFI-AVENTIS (FR) 2005-08-18 WO disclosed
EP-1328514-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2003-07-23 EP disclosed
WO-2002034718-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2002-05-02 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 (2 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-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R SLC6A3 709/4885SLC6A2 445/4885SLC6A4 462/4885
US-20100016357-A1 Use of Beta-Aminoalcohols for the Treatment of Inflammatory Disorders and Pain HRH3, HRH2, HRH1 SLC6A3 1982/4885SLC6A2 993/4885SLC6A4 3192/4885

“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.