SCHEMBL4887141

SCHEMBL4887141

CCC(C)(C)OC(=O)NC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
TDP1 Q9NUW8 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
NFKB1 P19838 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRNA7 P36544 1/20 0.34
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL4887145 1.00 EPHX1 (0.38) EPHX1TDP1ALDH1A1TSHRCHRNB2
SCHEMBL552809 0.83 TDP1 (0.38) TDP1ALDH1A1TSHRCYP2D6CA12
SCHEMBL19821956 0.83 CTSK (0.33) TDP1ALDH1A1TSHRCA12CA1
SCHEMBL7819855 0.79 ALDH1A1 (0.35) EPHX1TDP1ALDH1A1TSHRCA12
SCHEMBL6175769 0.79 ALDH1A1 (0.35) TDP1ALDH1A1TSHRCA12CA1
SCHEMBL28260830 0.79 EPHX1 (0.36) EPHX1TDP1ALDH1A1TSHRCHRNB2
SCHEMBL8404812 0.79 EPHX1 (0.38) EPHX1TDP1ALDH1A1TSHRCHRNB2
SCHEMBL3342222 0.79 TDP1 (0.46) EPHX1TDP1ALDH1A1TSHRCA12
SCHEMBL28996704 0.79 EPHX1 (0.46) EPHX1TDP1ALDH1A1TSHRHSD17B10
Propane SCHEMBL28996705 0.78 CA1 (0.44) EPHX1TDP1ALDH1A1CYP2D6CA12

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311099-A1 Pyridoxal-5-Phosphate and Related Compounds in Combination With Therapeutic Cardiovascular Compounds for Treating Angina MEDICURE INTERNATIONAL INC. 2008-12-18 US disclosed
US-20070249562-A1 TREATMENT OF ATRIAL FIBRILLATION MEDICURE INTERNATIONAL INC. (CA) 2007-10-25 US disclosed
US-20070167411-A1 Compositions for treating angina MEDICURE INTERNATIONAL INC. (BB) 2007-07-19 US disclosed
US-7230009-B2 Pyridoxal analogues and methods of treatment MEDICURE, INC. (CA) 2007-06-12 US disclosed
US-20070032456-A1 Modulation of cell death MEDICURE INC. (CA) 2007-02-08 US disclosed
EP-1169322-B8 PYRIDOXAL ANALOGUES FOR THE TREATMENT OF DISORDERS CAUSED BY A DEFICIENCY IN VITAMIN B6 MEDICURE INC (CA) 2006-09-13 EP disclosed
EP-1640005-A2 Pyridoxal analogues for the treatment of disorders caused by a deficiency in vitamin B6 Medicure International Inc. (CA) 2006-03-29 EP disclosed
US-20060019929-A1 Combination therapies employing platelet aggregation drugs MEDICURE INTERNATIONAL INC. (CA) 2006-01-26 US disclosed
EP-1610783-A2 MODULATION OF CELL DEATH Medicure Inc. (CA) 2006-01-04 EP disclosed
EP-1608379-A1 COMPOSITIONS FOR TREATING ANGINA Medicure Inc. (CA) 2005-12-28 EP disclosed
US-20030195236-A1 Pyridoxal analogues and methods of treatment MEDICURE INC. (CA) 2003-10-16 US disclosed
US-6586414-B2 Administering pyridoxal-5'-phosphate, pyridoxal, pyridoxine, pyridoxamine, 3-acylated analogues thereof; treatment of strokes MEDICURE INTERNATIONAL INC. (BB) 2003-07-01 US disclosed
US-20030114424-A1 Treatment of cerebrovascular disease MEDICURE INTERNATIONAL INC. (BB) 2003-06-19 US disclosed
EP-1278526-A2 TREATMENT OF CEREBROVASCULAR DISEASE Medicure International Inc. (BB) 2003-01-29 EP disclosed
US-6339085-B1 FOR THERAPY OF HYPERTROPHY, HYPERTENSION, CONGESTIVE HEART FAILURE, MYOCARDIAL ISCHEMIA, ARRHYTHMIA, HEART FAILURE SUBSEQUENT TO MYOCARDIAL INFARCTION, MYOCARDIAL INFARCTION, ISCHEMIA REPERFUSION INJURY, BLOOD COAGULATION THE UNIVERSITY OF MANITOBA (CA) 2002-01-15 US disclosed
EP-1169322-A1 PYRIDOXAL ANALOGUES FOR VITAMIN B-6 DISORDERS Medicure Inc. (CA) 2002-01-09 EP disclosed
US-20010056081-A1 Treatment of cerebrovascular disease MEDICURE INTERNATIONAL INC. (CA) 2001-12-27 US disclosed
US-20010031770-A1 Pyridoxal analogues and methods of treatment MEDICURE INC. (CA) 2001-10-18 US disclosed
WO-2001072309-A2 TREATMENT OF CEREBROVASCULAR DISEASE MEDICURE INTERNATIONAL INC. (US) 2001-10-04 WO disclosed
WO-2000053606-A1 PYRIDOXAL ANALOGUES FOR VITAMIN B-6 DISORDERS MEDICURE INC. (CA) 2000-09-14 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 (9 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-20070249562-A1 TREATMENT OF ATRIAL FIBRILLATION PNPO, KCNH1, PLPBP EPHX1 1151/4885TDP1 2971/4885ALDH1A1 550/4885
US-20070167411-A1 Compositions for treating angina PNPO, PYGM, PLPBP EPHX1 1094/4885TDP1 2405/4885ALDH1A1 1367/4885
US-20080311099-A1 Pyridoxal-5-Phosphate and Related Compounds in Combination With Therapeutic Cardiovascular Compounds for Treating Angina ALOX5, PNPO, KCNMB1 EPHX1 1492/4885TDP1 3798/4885ALDH1A1 1179/4885
US-20010056081-A1 Treatment of cerebrovascular disease PNPO, PLPBP, VNN1 EPHX1 555/4885TDP1 1245/4885ALDH1A1 1352/4885
US-20010031770-A1 Pyridoxal analogues and methods of treatment PNPO, PDXK, PLPBP EPHX1 772/4885TDP1 1896/4885ALDH1A1 1143/4885
US-20070032456-A1 Modulation of cell death CASP6, CASP3, CASP5 EPHX1 2107/4885TDP1 1120/4885ALDH1A1 3492/4885
US-20060019929-A1 Combination therapies employing platelet aggregation drugs PF4, PFKP, P2RY4 EPHX1 1155/4885TDP1 2077/4885ALDH1A1 1639/4885
US-20030195236-A1 Pyridoxal analogues and methods of treatment PNPO, PDXK, PLPBP EPHX1 754/4885TDP1 1977/4885ALDH1A1 1207/4885
US-20030114424-A1 Treatment of cerebrovascular disease PNPO, PLPBP, VNN1 EPHX1 555/4885TDP1 1245/4885ALDH1A1 1352/4885

“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.