SCHEMBL16047199

SCHEMBL16047199

CCC(N)(c1ccccc1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.39
TAAR1 Q96RJ0 2/20 0.38
CHRM3 P20309 3/20 0.36
CYP2D6 P10635 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
KCNH2 Q12809 1/20 0.36
KIF11 P52732 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HRH1 P35367 1/20 0.35
SCN1A P35498 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28756807 0.77 CYP2D6 (0.39) CHRM3CYP2D6CHRM2CHRM1KCNH2
SCHEMBL28137313 0.76 CYP2C19 (0.47) KCNN4CHRM3CYP2D6CHRM2CHRM1
SCHEMBL147712 0.75 KCNN4 (0.52) KCNN4TAAR1CYP2D6KIF11KMT2A
Hydrochloric Acid SCHEMBL317557 0.73 KCNN4 (0.50) KCNN4TAAR1CYP2D6KIF11KMT2A
Iodide SCHEMBL28805520 0.73 KCNN4 (0.50) KCNN4TAAR1CYP2D6KIF11KMT2A
Bromide SCHEMBL28680752 0.73 KCNN4 (0.50) KCNN4TAAR1CYP2D6KIF11KMT2A
SCHEMBL4610363 0.73 KEAP1 (0.43) TAAR1CHRM3CYP2D6CHRM2CHRM1
SCHEMBL6634419 0.72 CHRM2 (0.35) CHRM3CYP2D6CHRM2CHRM1KCNH2
SCHEMBL28495177 0.72 CHRM2 (0.54) CHRM3CYP2D6CHRM2CHRM1KCNH2
SCHEMBL5959167 0.70 MAPK1 (0.41) KCNN4TAAR1CHRM3CYP2D6MEN1

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
EP-2970240-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH Novartis AG (CH) 2016-01-20 EP disclosed
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2015-06-04 US disclosed
WO-2014141104-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 WO disclosed
US-20140275083-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2014-09-18 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 (5 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 KCNN4 3635/4885TAAR1 3940/4885CHRM3 4884/4885
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A KCNN4 3635/4885TAAR1 3940/4885CHRM3 4884/4885
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A KCNN4 3635/4885TAAR1 3940/4885CHRM3 4884/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A KCNN4 3635/4885TAAR1 3940/4885CHRM3 4884/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A KCNN4 3635/4885TAAR1 3940/4885CHRM3 4884/4885

“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.