SCHEMBL2701320

SCHEMBL2701320

NCC(OCC(F)(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNK2 O95069 1/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46
TAAR1 Q96RJ0 3/20 0.43
HTR2A P28223 1/20 0.43
SLC7A5 Q01650 8/20 0.43
NOS2 P35228 1/20 0.41
TACR1 P25103 1/20 0.38

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
SCHEMBL14936044 0.81 GSR (0.46) SLC6A2SLC6A4SLC6A3KCNK2KCNH2
SCHEMBL31332756 0.80 CHRNB2 (0.46) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL16101819 0.80 SLC6A2 (0.39) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL17311055 0.77 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3KCNK2KCNH2
SCHEMBL3726523 0.77 FFAR1 (0.46)
SCHEMBL2698650 0.77 CHRNB2 (0.53) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL8570863 0.76 TACR1 (0.41) SLC6A2SLC6A4SLC6A3KCNK2KCNH2
SCHEMBL11813722 0.76 SCN1A (0.46) SLC6A2SLC6A4SLC6A3KCNH2HTR2A
SCHEMBL147186 0.75 CHRNB2 (0.54) CHRNB2CHRNA4SLC6A2TAAR1HTR2A
SCHEMBL19156406 0.74 CHRNB2 (0.61) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3

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-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2018-10-30 US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 US disclosed
US-9688672-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2017-06-27 US disclosed
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2016-11-03 US disclosed
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 US disclosed
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2015-06-04 US disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 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 (6 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-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CHRNB2 4546/4885CHRNA4 4684/4885SLC6A2 3894/4885
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CHRNB2 4546/4885CHRNA4 4684/4885SLC6A2 3894/4885
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CHRNB2 4546/4885CHRNA4 4684/4885SLC6A2 3894/4885
US-20100286202-A1 New Compounds REN, PCSK9, FURIN CHRNB2 4721/4885CHRNA4 4624/4885SLC6A2 957/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CHRNB2 4546/4885CHRNA4 4684/4885SLC6A2 3894/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A CHRNB2 4546/4885CHRNA4 4684/4885SLC6A2 3894/4885

“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.