SCHEMBL2089684

SCHEMBL2089684

CC(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.60
EPHX1 P07099 1/20 0.60
FAAH O00519 4/20 0.52
MMP13 P45452 2/20 0.50
MMP2 P08253 1/20 0.50
FPR2 P25090 2/20 0.49
PROKR1 Q8TCW9 2/20 0.49
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
NAMPT P43490 1/20 0.47
AADAC P22760 1/20 0.47
HSD11B1 P28845 1/20 0.47
MMP12 P39900 1/20 0.47
MMP14 P50281 1/20 0.47
LIPE Q05469 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
SCHEMBL6097817 0.87 EPHX2 (0.56) EPHX2EPHX1FAAHMMP13MMP2
SCHEMBL2089682 0.86 EPHX2 (0.54) EPHX2EPHX1FAAHMMP13MMP2
SCHEMBL2092945 0.86 LIPE (0.61) EPHX2MMP13MMP2FPR2PROKR1
SCHEMBL2097260 0.85 OXTR (0.52) EPHX2EPHX1CYP4F2CYP4A11
SCHEMBL2951108 0.84 GPR119 (0.63) EPHX2FAAHMMP13MMP2LIPE
SCHEMBL3028128 0.84 POLB (0.56) EPHX2FAAHMMP13MMP2FPR2
SCHEMBL3334541 0.82 EPHX2 (0.64) EPHX2EPHX1FAAHMMP13MMP2
SCHEMBL17422616 0.82 EPHX2 (0.56) EPHX2FAAHMMP13MMP2AADAC
SCHEMBL16220677 0.82 EPHX2 (0.56) EPHX2CYP4F2CYP4A11NAMPT
SCHEMBL9013886 0.82 CASP6 (0.53) CYP4F2CYP4A11NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065931-A1 METHOD FOR PRODUCING 1-(4-HYDROXYPHENYL)-4-(4-TRIFLUOROMETHOXYPHENOXY)PIPERIDINE OR SALT THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-03-08 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (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-20180065931-A1 METHOD FOR PRODUCING 1-(4-HYDROXYPHENYL)-4-(4-TRIFLUOROMETHOXYPHENOXY)PIPERIDINE OR SALT THEREOF DHPS, PAH, HPD EPHX2 1064/4885EPHX1 399/4885FAAH 2709/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 EPHX2 3472/4885EPHX1 4212/4885FAAH 3448/4885

“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.