SCHEMBL4588299

SCHEMBL4588299

CCCCCCCN1C(=O)CCC1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.46
PTGER3 P43115 6/20 0.46
PTGER2 P43116 5/20 0.46
MGLL Q99685 2/20 0.45
FAAH O00519 1/20 0.45
GBA1 P04062 1/20 0.45
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL664674 1.00 PTGER4 (0.46) PTGER4PTGER3PTGER2MGLLFAAH
SCHEMBL665342 1.00 PTGER4 (0.46) PTGER4PTGER3PTGER2MGLLFAAH
SCHEMBL4329362 1.00 PTGER4 (0.46) PTGER4PTGER3PTGER2MGLLFAAH
SCHEMBL664648 1.00 PTGER4 (0.46) PTGER4PTGER3PTGER2MGLLFAAH
SCHEMBL30697351 1.00 PTGER4 (0.46) PTGER4PTGER3PTGER2MGLLFAAH
SCHEMBL4588206 1.00 PTGER4 (0.46) PTGER4PTGER3PTGER2MGLLFAAH
SCHEMBL4588711 1.00 PTGER4 (0.46) PTGER4PTGER3PTGER2MGLLFAAH
SCHEMBL4635213 0.98 CHRM2 (0.45) PTGER4PTGER3PTGER2MGLLFAAH
Methane SCHEMBL4593708 0.96 CHRM2 (0.44) PTGER4PTGER3PTGER2MGLLFAAH
SCHEMBL1869119 0.93 MEN1 (0.48) PTGER4PTGER3PTGER2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613573-A4 PRODUCTION OF 5-METHYL-1-HYDROCARBYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID DU PONT (US) 2008-10-29 EP disclosed
US-7217373-B2 Fluorocarbon, oxygenated and non-oxygenated lubricant, and compatibilizer composition, and method for replacing refrigeration composition in a refrigeration system E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-15 US disclosed
US-7157020-B2 Refrigerant compositions comprising performance enhancing additives E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-02 US disclosed
US-6991744-B2 Refrigerant compositions containing a compatibilizer E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-01-31 US disclosed
EP-1613573-A2 PRODUCTION OF 5-METHYL-1-HYDROCARBYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-01-11 EP disclosed
US-6962665-B2 Refrigerant compositions containing a compatibilizer E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-11-08 US disclosed
US-20050178999-A1 Fluorocarbon, oxygenated and non-oxygenated lubricant, and compatibilizer composition, and method for replacing refrigeration composition in a refrigeration system MINOR BARBARA H (US) 2005-08-18 US disclosed
EP-1551934-A2 REFRIGERANT COMPOSITIONS COMPRISING PERFORMANCE ENHANCING ADDITIVES E. I. du Pont de Nemours and Company (US) 2005-07-13 EP disclosed
US-6900337-B2 Production of 5-methyl-1-hydrocarbyl-2-pyrrolidone by reductive amination of levulinic acid E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-05-31 US disclosed
US-6899820-B2 Fluorocarbon, oxygenated and non-oxygenated lubricant, and compatibilizer composition, and method for replacing refrigeration composition in a refrigeration system E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-05-31 US disclosed
WO-2004085349-A2 PRODUCTION OF 5-METHYL-1-HYDROCARBYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO disclosed
US-20040192933-A1 Production of 5-methyl-1-hydrocarbyl-2-pyrrolidone by reductive amination of levulinic acid E.I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
EP-1451263-A1 REFRIGERANT COMPOSITIONS CONTAINING A COMPATIBILIZER AND USE THEREOF IN A COMPRESSION REFRIGERATION APPARATUS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-09-01 EP disclosed
US-20040108487-A1 FLUOROCARBON, OXYGENATED AND NON-OXYGENATED LUBRICANT, AND COMPATIBILIZER COMPOSITION, AND METHOD FOR REPLACING REFRIGERATION COMPOSITION IN A REFRIGERATION SYSTEM E.I. DU PONT DE NEMOURS AND COMPANY 2004-06-10 US disclosed
US-20040099838-A1 Refrigerant compositions comprising performance enhancing additives E. I. DU PONT DE NEMOURS AND COMPANY 2004-05-27 US disclosed
US-20040041122-A1 Fluorocarbon, oxygenated and non-oxygenated lubricant, and compatibilizer composition, and method for replacing refrigeration composition in a refrigeration system E.I. DU PONT DE NEMOURS AND COMPANY 2004-03-04 US disclosed
WO-2004015042-A2 REFRIGERANT COMPOSITIONS COMPRISING PERFORMANCE ENHANCING ADDITIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2004-02-19 WO disclosed
WO-2003104364-A1 FLUOROCARBON, OXYGENATED AND NON-OXYGENATED LUBRICANT, AND COMPATIBILIZER COMPOSITION, AND METHOD FOR REPLACING REFRIGERATION COMPOSITION IN A REFRIGERATION SYSTEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-12-18 WO disclosed
US-20030209688-A1 Refrigerant compositions containing a compatibilizer E. I. DU PONT DE NEMOURS AND COMPANY 2003-11-13 US disclosed
WO-2003050200-A1 REFRIGERANT COMPOSITIONS CONTAINING A COMPATIBILIZER AND USE THEROF IN A COMPRESSION REFRIGERATION APPARATUS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-06-19 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 (1 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-20040192933-A1 Production of 5-methyl-1-hydrocarbyl-2-pyrrolidone by reductive amination of levulinic acid ALDH18A1, PRMT5, PYCR1 PTGER4 3406/4885PTGER3 3941/4885PTGER2 1700/4885

“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.