SCHEMBL633300

SCHEMBL633300

CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1COC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NR1H2 P55055 1/20 0.38
HSD11B1 P28845 1/20 0.32
AR P10275 1/20 0.31
RIPK1 Q13546 1/20 0.31
SRC P12931 4/20 0.31
NAMPT P43490 1/20 0.30

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
SCHEMBL3952737 1.00 CYP1A2 (0.41) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL8064404 0.88 NR1H2 (0.37) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL18700391 0.87 CYP1A2 (0.42) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL1949659 0.84 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL1439401 0.84 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL1462675 0.84 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL1722643 0.84 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL28995745 0.84 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2
SCHEMBL3952274 0.84 ATM (0.36) RIPK1
SCHEMBL10238568 0.84 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 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 (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-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 CYP1A2 808/4885POLB 2386/4885CYP3A4 653/4885

“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.