SCHEMBL2250438

SCHEMBL2250438

CC(C)(C)OC(=O)Nc1cccc(F)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.45
SCN9A Q15858 3/20 0.43
GRM5 P41594 3/20 0.42
LCK P06239 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SYK P43405 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
NAMPT P43490 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL29394473 0.89 LCK (0.47) LCKMEN1KMT2ARAB9ANPC1
SCHEMBL2256179 0.87 FFAR2 (0.37) FFAR2SCN9AGRM5LCKCYP1A2
SCHEMBL1712579 0.83 ALDH1A1 (0.51) GRM5LCKCYP1A2MEN1KMT2A
SCHEMBL29510654 0.83 ALDH1A1 (0.51) GRM5LCKCYP1A2MEN1KMT2A
SCHEMBL22523913 0.83 LCK (0.43) SCN9ALCKMEN1KMT2ASYK
SCHEMBL533505 0.83 RAB9A (0.62) GRM5MEN1KMT2ARAB9ANPC1
SCHEMBL31151002 0.83 RAB9A (0.62) GRM5MEN1KMT2ARAB9ANPC1
SCHEMBL14622117 0.83 LCK (0.43) SCN9ALCKMEN1KMT2ARAB9A
SCHEMBL31009974 0.81 LCK (0.42) SCN9ALCKMEN1KMT2ARAB9A
SCHEMBL12710236 0.81 LCK (0.42) SCN9ALCKMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155747-B1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LTD (GB) 2012-10-24 EP disclosed
EP-2155747-B1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LTD (GB) 2012-10-24 EP disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 US disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
EP-2155747-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS Acadia Pharmaceuticals Inc. (US) 2010-02-24 EP disclosed
WO-2008141249-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 WO disclosed
WO-2008141249-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 WO disclosed
EP-1824834-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-29 EP disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
WO-2006063806-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-22 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 (3 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 FFAR2 3966/4885SCN9A 3877/4885GRM5 3431/4885
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS CNR1, CNR2, GPR18 FFAR2 143/4885SCN9A 1113/4885GRM5 734/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 FFAR2 3620/4885SCN9A 3795/4885GRM5 2557/4885

“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.