SCHEMBL5544461

SCHEMBL5544461

CN1CCC(Oc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TP53 P04637 1/20 0.59
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
EPHX2 P34913 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM3 P20309 1/20 0.51
IDH2 P48735 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MET P08581 1/20 0.45
MGLL Q99685 1/20 0.45
ABHD6 Q9BV23 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
CARM1 Q86X55 1/20 0.44

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
SCHEMBL14624129 0.87 MEN1 (0.47) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL24781277 0.86 SLC6A2 (0.53) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL20858622 0.86 SLC6A2 (0.69) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL13855665 0.86 MEN1 (0.59) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL5544454 0.85 TP53 (0.59) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL5541792 0.84 MET (0.48) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL5534518 0.83 TP53 (0.55) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL29731413 0.83 MEN1 (0.54) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL24168852 0.83 SLC6A2 (0.66) MEN1KMT2ATP53SLC6A2SLC6A4
SCHEMBL5548401 0.82 TP53 (0.56) MEN1KMT2ATP53SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133750-A1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 WO disclosed
WO-2020154571-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-07-30 WO 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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US 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 MEN1 3295/4885KMT2A 4267/4885TP53 4494/4885

“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.