SCHEMBL6010772

SCHEMBL6010772

CC1(CN2CCC(C(=O)O)C[C@H]2Cc2ccc(C(F)(F)F)cc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
CCR5 P51681 1/20 0.41
TACR1 P25103 4/20 0.39
SLC2A1 P11166 1/20 0.38
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 1/20 0.35
HSD11B1 P28845 1/20 0.34
TEAD1 P28347 2/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL6010767 1.00 NOTUM (0.41) NOTUMCCR5TACR1SLC2A1GAA
SCHEMBL6010683 0.86 MAPT (0.41) NOTUMCCR5
SCHEMBL6010678 0.86 MAPT (0.41) NOTUMCCR5
SCHEMBL581462 0.77 NOTUM (0.49) NOTUMTACR1SLC2A1GAATDP1
SCHEMBL581282 0.77 TACR1 (0.46) NOTUMTACR1KCNH2OPRD1
SCHEMBL581783 0.77 TACR1 (0.46) NOTUMTACR1KCNH2OPRD1
SCHEMBL581527 0.77 TACR1 (0.46) NOTUMTACR1KCNH2OPRD1
SCHEMBL581526 0.77 TACR1 (0.46) NOTUMTACR1KCNH2OPRD1
SCHEMBL6010595 0.76 NEK2 (0.32)
SCHEMBL6010589 0.76 NEK2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NOTUM 3827/4885CCR5 551/4885TACR1 1465/4885

“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.