SCHEMBL4240412

SCHEMBL4240412

O=C(c1ccc(C(F)(F)F)cc1)C1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
CYP2D6 P10635 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD11B1 P28845 2/20 0.56
MGLL Q99685 3/20 0.55
HTR2C P28335 2/20 0.53
KDM2B Q8NHM5 2/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
Hydrochloric Acid SCHEMBL21384816 0.98 MEN1 (0.64) MEN1CYP2D6KMT2AHSD11B1MGLL
SCHEMBL4023293 0.88 HSD11B1 (0.63) HSD11B1MGLLKDM2BCES2CES1
SCHEMBL18624032 0.87 MEN1 (0.62) MEN1CYP2D6KMT2AHSD11B1MGLL
Tert-Butyl Formate SCHEMBL27968807 0.87 MEN1 (0.51) MEN1CYP2D6KMT2AHSD11B1MGLL
SCHEMBL1855141 0.84 HSD11B1 (0.60) MEN1KMT2AHSD11B1MGLLKDM2B
SCHEMBL19650840 0.84 HSD11B1 (0.60) MEN1KMT2AHSD11B1MGLLKDM2B
SCHEMBL1583171 0.83 MEN1 (0.66) MEN1CYP2D6KMT2A
SCHEMBL26081057 0.83 HSD11B1 (0.58) MEN1KMT2AHSD11B1MGLLKDM2B
SCHEMBL7418491 0.83 HSD11B1 (0.56) MEN1CYP2D6KMT2AHSD11B1MGLL
Hydrochloric Acid SCHEMBL11616870 0.82 MEN1 (0.69) MEN1CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-8974806-B2 Method for producing aqueous active substance compositions of active substances that are hardly soluble in water BASF AKTIENGESELLSCHAFT (DE) 2015-03-10 US disclosed
US-8974806-B2 Method for producing aqueous active substance compositions of active substances that are hardly soluble in water BASF AKTIENGESELLSCHAFT (DE) 2015-03-10 US disclosed
EP-1973401-B1 SOLVENT MIXTURE FOR PREPARING WATER-DILUTABLE LIQUID CONCENTRATE FORMULATION OF ORGANIC PESTICIDE COMPOUNDS BASF SE (DE) 2014-07-02 EP disclosed
US-8741324-B2 Liquid pesticide compositions BASF SE (DE) 2014-06-03 US disclosed
EP-1763300-B1 USE OF ETHER GROUP-CONTAINING POLYMERS AS SOLUBILIZERS BASF SE (DE) 2013-05-15 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2514311-A1 Method for protecting against phytopathogens with kiralaxyl, usage and means for same ISAGRO S.p.A. (IT) 2012-10-24 EP disclosed
EP-2514310-A1 Method for protecting against phytopathogens with kiralaxyl, usage and means for same ISAGRO S.p.A. (IT) 2012-10-24 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1572668-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2005-09-14 EP disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed
WO-2004060865-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2004-07-22 WO disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-5198449-A N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents A. H. ROBINS COMPANY INCORPORATED (US) 1993-03-30 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 (2 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MEN1 3295/4885CYP2D6 728/4885KMT2A 4267/4885
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 MEN1 4855/4885CYP2D6 3964/4885KMT2A 4728/4885

“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.