SCHEMBL77428

SCHEMBL77428

CC(C)(C)OC(=O)[C@@H]1CCCN1c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.41
CNR2 P34972 5/20 0.39
CNR1 P21554 3/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2D6 P10635 1/20 0.38
NPC1 O15118 1/20 0.38
ROCK2 O75116 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASP6 P55212 1/20 0.36
GFER P55789 1/20 0.36
BRS3 P32247 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL5264109 1.00 CASP3 (0.41) CASP3CNR2CNR1CYP2C8CYP2C19
SCHEMBL28690247 0.86 CASP3 (0.41) CASP3CNR2CNR1CYP2C8CYP2C19
SCHEMBL7467423 0.85 GPR119 (0.41) CASP3ROCK2GPR119ATRATRIP
SCHEMBL6161182 0.85 GPR119 (0.41) CASP3ROCK2GPR119ATRATRIP
SCHEMBL3884242 0.85 SCN9A (0.41) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL4827644 0.84 CNR2 (0.53) CASP3CNR2CNR1CYP2C8CYP2C19
SCHEMBL4827642 0.84 CNR2 (0.53) CASP3CNR2CNR1CYP2C8CYP2C19
Hydrochloric Acid SCHEMBL2333520 0.83 SCN9A (0.41) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL30271298 0.83 CNR2 (0.40) CASP3CNR2CNR1CYP2C8CYP2C19
SCHEMBL4714684 0.82 MAPT (0.53) CASP3CYP2C19CYP2C9LMNA

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-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-10-20 US disclosed
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-18 US disclosed
US-8822458-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-02 US disclosed
EP-1526132-B1 Substituted oxazolidinone derivatives and their use as factor xa inhibitors BAYER IP GMBH (DE) 2014-03-12 EP disclosed
US-20130316999-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US disclosed
US-8530505-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-10 US disclosed
US-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-01-03 US disclosed
US-8129378-B2 Rivaroxaban and derivatives, synthesis; atherosclerosis; arthritis; Alzheimer's disease or cancer BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20100267685-A1 Methods For The Prophylaxis And/or Treatment Of Thromboembolic Disorders By Combination Therapy With Substituted Oxazolidinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-21 US disclosed
US-7767702-B2 Combinations of oxazolidinones such as rivaroxaban with a platelet aggregation inhibitor such as a clopidogrel for the prophylaxis and/or treatment of thromboembolic disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-7576111-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER SCHERING PHARMA AG (DE) 2009-08-18 US disclosed
US-20080306070-A1 Combination Therapy Comprising Substituted Oxazolidinones for the Prevention and Treatment of Cerebral Circulatory Disorders BAYER HEALTHCARE AG 2008-12-11 US disclosed
US-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080090815-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-04-17 US disclosed
US-7157456-B2 Anticoagulates for treating cardiovascular disorders, such as myocardial infarct, angina pectoris, restenoses after angioplasty, bypass, stroke; treatment of atherosclerosis, arthritis, Alzheimer's disease or cancer BAYER HEALTHCARE AG (DE) 2007-01-02 US disclosed
US-20060258724-A1 Substituted Oxazolidinones and Their Use in the Field of Blood Coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-16 US disclosed
EP-1526132-A2 Substituted oxazolidinone derivatives and their use as factor xa inhibitors Bayer HealthCare AG (DE) 2005-04-27 EP disclosed
EP-1261606-B1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AG (DE) 2005-02-23 EP disclosed
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-12-02 US disclosed
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-08-14 US 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 (11 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-20080090815-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B CASP3 689/4885CNR2 3148/4885CNR1 3176/4885
US-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones P2RY12, P2RY11, P2RY1 CASP3 3582/4885CNR2 105/4885CNR1 125/4885
US-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B CASP3 689/4885CNR2 3148/4885CNR1 3176/4885
US-20130316999-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B CASP3 689/4885CNR2 3148/4885CNR1 3176/4885
US-20080306070-A1 Combination Therapy Comprising Substituted Oxazolidinones for the Prevention and Treatment of Cerebral Circulatory Disorders OTC, SDHA, SDHB CASP3 693/4885CNR2 1374/4885CNR1 1738/4885
US-20040242660-A1 Combinations of oxazolidinones with other active ingredients for the prophylaxis and/or treatment of thromboembolic disorders SERPINC1, XDH, SDHB CASP3 1363/4885CNR2 3896/4885CNR1 3890/4885
US-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B CASP3 689/4885CNR2 3148/4885CNR1 3176/4885
US-20100267685-A1 Methods For The Prophylaxis And/or Treatment Of Thromboembolic Disorders By Combination Therapy With Substituted Oxazolidinones SERPINC1, SDHB, F2 CASP3 1257/4885CNR2 3108/4885CNR1 3453/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 CASP3 899/4885CNR2 3530/4885CNR1 2472/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B CASP3 689/4885CNR2 3148/4885CNR1 3176/4885
US-20060258724-A1 Substituted Oxazolidinones and Their Use in the Field of Blood Coagulation F2, F11, F13B CASP3 689/4885CNR2 3148/4885CNR1 3176/4885

“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.