SCHEMBL77429

SCHEMBL77429

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.38
CASP6 P55212 1/20 0.38
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
FFAR1 O14842 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3151418 0.70 SLC6A3 (0.37) GFERCASP6NR1H2NR1H3FFAR1
SCHEMBL2033862 0.68 FFAR3 (0.30)
SCHEMBL3174178 0.67 GRIN2B (0.30)
SCHEMBL17745108 0.64 CASP6 (0.31) GFERCASP6
SCHEMBL10509125 0.64
Ammonia Solution, Strong SCHEMBL28797344 0.64 ALDH1A1 (0.44) GFERCASP6MAPTKDM4EGAA
SCHEMBL3573560 0.63 CXCR3 (0.42) KDM4EALDH1A1NPC1POLBHTT
SCHEMBL3573557 0.63 CXCR3 (0.42) KDM4EALDH1A1NPC1POLBHTT
SCHEMBL9103491 0.63 CNR1 (0.56) NR1H2NR1H3FFAR1MAPTKDM4E
SCHEMBL9103501 0.63 CNR1 (0.56) NR1H2NR1H3FFAR1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20100160301-A1 MICROANGIOPATHY TREATMENT AND PREVENTION BAYER HEALTHCARE AG 2010-06-24 US disclosed
US-20100137274-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER SCHERING PHARMA AG (DE) 2010-06-03 US disclosed
US-7592339-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-09-22 US disclosed
EP-2099453-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-16 EP disclosed
US-7585860-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-09-08 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-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
WO-2008052671-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-08 WO 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
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-08-14 US disclosed
WO-2003000256-A9 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER AG (DE) 2003-02-06 WO disclosed
WO-2001047919-A9 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER AG (DE) 2002-12-19 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-20080090815-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B GFER 2248/4885CASP6 598/4885NR1H2 1001/4885
US-20130005701-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B GFER 2248/4885CASP6 598/4885NR1H2 1001/4885
US-20100137274-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B GFER 2248/4885CASP6 598/4885NR1H2 1001/4885
US-20130316999-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B GFER 2248/4885CASP6 598/4885NR1H2 1001/4885
US-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B GFER 2248/4885CASP6 598/4885NR1H2 1001/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 GFER 2978/4885CASP6 791/4885NR1H2 979/4885
US-20100160301-A1 MICROANGIOPATHY TREATMENT AND PREVENTION SERPINC1, TFPI, F11 GFER 1259/4885CASP6 927/4885NR1H2 2180/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B GFER 2248/4885CASP6 598/4885NR1H2 1001/4885
US-20060258724-A1 Substituted Oxazolidinones and Their Use in the Field of Blood Coagulation F2, F11, F13B GFER 2248/4885CASP6 598/4885NR1H2 1001/4885

“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.