SCHEMBL784985

SCHEMBL784985

O=CCN(C(=O)O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 7/20 0.40
ADH1C P00326 4/20 0.39
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ADH4 P08319 1/20 0.37

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
SCHEMBL8773489 0.84 ALDH1A1 (0.39) AGERMTNR1AL3MBTL1
SCHEMBL11288200 0.80 AGER (0.41) AGERMTNR1AL3MBTL1
SCHEMBL30231053 0.80
SCHEMBL23795173 0.79 CCR5 (0.36) AGER
SCHEMBL3589654 0.79 ADH1A (0.36) ADH1AADH1CL3MBTL1ADH4
SCHEMBL27815168 0.79 ADH1A (0.44) ADH1AADH1CL3MBTL1
SCHEMBL4442911 0.78 AGER (0.41) AGERMTNR1AL3MBTL1
SCHEMBL16653682 0.78 AGER (0.41) AGERMTNR1AL3MBTL1
SCHEMBL3892850 0.77 AGER (0.40) AGERMTNR1AL3MBTL1
SCHEMBL967635 0.77 L3MBTL1 (0.54) ADH1AADH1CL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010117939-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS SCHERING CORPORATION (US) 2010-10-14 WO claimed
US-9198907-B2 Combinations of a HCV inhibitor such as bicyclic pyrrole derivatives and a therapeutic agent PTC THERAPEUTICS, INC. (US) 2015-12-01 US disclosed
US-8841302-B2 HCV inhibitor and therapeutic agent combinations PTC THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120087893-A1 COMBINATIONS OF A HCV INHIBITOR SUCH AS BICYCLIC PYRROLE DERIVATIVES AND A THERAPEUTIC AGENT PTC THERAPEUTICS, INC. (US) 2012-04-12 US disclosed
US-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
US-7875647-B2 and inverse agonist; 2-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazole; obesity and obesity-related metabolic disorders GREEN CROSS CORPORATION (KR) 2011-01-25 US disclosed
EP-2097410-A1 HETEROARYL-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS Green Cross Corporation (KR) 2009-09-09 EP disclosed
WO-2008105607-A1 HETEROARYL-IMIDAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2008-09-04 WO disclosed
US-20080207704-A1 HETEROARYL-IMIDAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS THE GREEN CROSS CORPORATION (KR) 2008-08-28 US disclosed
US-20080207705-A1 Heteroaryl-Imidazole Derivatives as Cannabinoid CB1 Receptor Antagonists GREEN CROSS CORPORATION (KR) 2008-08-28 US disclosed
US-20080081812-A1 Heteroaryl-Pyrazole Derivatives as Cannabinoid CB1 Receptor Antagonists GREEN CROSS CORPORATION (KR) 2008-04-03 US disclosed
WO-2008039023-A1 HETEROARYL-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2008-04-03 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-20080207704-A1 HETEROARYL-IMIDAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS CNR2, CNR1, GPR119 ADH1A 647/4885ADH1C 324/4885AGER 2947/4885
US-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ADH1A 1814/4885ADH1C 1931/4885AGER 4149/4885
US-20080207705-A1 Heteroaryl-Imidazole Derivatives as Cannabinoid CB1 Receptor Antagonists CNR2, CNR1, GPR119 ADH1A 708/4885ADH1C 378/4885AGER 2919/4885
US-20080081812-A1 Heteroaryl-Pyrazole Derivatives as Cannabinoid CB1 Receptor Antagonists CNR2, CNR1, GPR119 ADH1A 1361/4885ADH1C 994/4885AGER 2509/4885
US-20120087893-A1 COMBINATIONS OF A HCV INHIBITOR SUCH AS BICYCLIC PYRROLE DERIVATIVES AND A THERAPEUTIC AGENT PREP, ENPEP, DNPEP ADH1A 1060/4885ADH1C 990/4885AGER 4479/4885

“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.