SCHEMBL2603283

SCHEMBL2603283

CCOC(=O)CC1CCN(C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
PARP14 Q460N5 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
KCNH2 Q12809 1/20 0.37
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP2D6 P10635 1/20 0.35
CASP6 P55212 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 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
SCHEMBL2947736 0.84 ALDH1A1 (0.40) POLBHRH3KCNH2MAPTKMT2A
SCHEMBL10232806 0.83 BRD4 (0.42) HRH3KCNH2MAPTCYP2D6
SCHEMBL25872173 0.83 MGAM (0.39) POLBGAAMGAMSIMGAM2
SCHEMBL10169416 0.81 POLB (0.38) POLBKCNH2GAAKMT2AL3MBTL1
SCHEMBL18595476 0.81 POLB (0.40) POLBPARP14GAAMGAMSI
SCHEMBL2607204 0.81 NCF1 (0.41) POLBPARP14GAAMGAMSI
SCHEMBL12156690 0.81 PIK3CD (0.41) POLBPARP14GAAMGAMSI
SCHEMBL2721040 0.80
SCHEMBL18123299 0.79 POLB (0.40) POLBPARP14GAAMGAMSI
SCHEMBL9201177 0.79 GAA (0.57) POLBPARP14GAAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079929-B2 Substituted tetrahydroisoquinoline compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-20140274960-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-18 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-8093251-B2 Nitrogen-containing heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090198060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-06 US disclosed
CN-100345853-C Pyrazolopyrimidine compound and method for producing the same TANABE SEIYAKU CO (JP) 2007-10-31 CN disclosed
CN-100344632-C Fused furan compound TANABE SEIYAKU CO (JP) 2007-10-24 CN disclosed
CN-1742013-A Pyrazolopyrimidine compound and method for producing the same TANABE SEIYAKU CO (JP) 2006-03-01 CN disclosed
CN-1723210-A Fused furan compound TANABE SEIYAKU CO (JP) 2006-01-18 CN 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 POLB 3406/4885PARP14 3594/4885HRH3 3373/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 POLB 3460/4885PARP14 4114/4885HRH3 3307/4885
US-20090198060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, MPL, IL1RN POLB 4263/4885PARP14 3760/4885HRH3 230/4885
US-20140274960-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 POLB 4679/4885PARP14 238/4885HRH3 668/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 POLB 1805/4885PARP14 681/4885HRH3 689/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 POLB 3460/4885PARP14 4114/4885HRH3 3307/4885

“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.