SCHEMBL2339721

SCHEMBL2339721

CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)N1CCSCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.42
DGAT1 O75907 1/20 0.32
EPHX1 P07099 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CTSK P43235 2/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL2339726 1.00 PREP (0.42) PREPDGAT1EPHX1USP2SMN1; SMN2
SCHEMBL7040763 0.87 CTSK (0.38) PREPEPHX1USP2SMN1; SMN2CA1
SCHEMBL7040760 0.87 CTSK (0.38) PREPEPHX1USP2SMN1; SMN2CA1
SCHEMBL8191256 0.85 HPGD (0.39) PREPEPHX1CA1CA2CTSK
SCHEMBL8191259 0.85 HPGD (0.39) PREPEPHX1CA1CA2CTSK
SCHEMBL19658018 0.84 CYP1A2 (0.34) USP2SMN1; SMN2CA1CA2CTSK
SCHEMBL3419541 0.83 MAPK1 (0.33) USP2SMN1; SMN2CA1CA2CTSK
SCHEMBL8189001 0.83 SMN1; SMN2 (0.50) USP2SMN1; SMN2CTSK
SCHEMBL3419540 0.83 MAPK1 (0.33) USP2SMN1; SMN2CA1CA2CTSK
SCHEMBL8189004 0.83 SMN1; SMN2 (0.50) USP2SMN1; SMN2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 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-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR2A, HTR6, HTR5A PREP 1832/4885DGAT1 4238/4885EPHX1 3092/4885

“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.