SCHEMBL21484989

SCHEMBL21484989

CCC(C)C(=O)N1C[C@H]2CCCC[C@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.53
HSD11B1 P28845 1/20 0.44
DPP4 P27487 5/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL12308335 0.80 CHRNB2 (0.53) HSD11B1DPP4
SCHEMBL1463515 0.80 CHRNB2 (0.58) EPHX2
SCHEMBL14748127 0.79 EPHX2 (0.43) EPHX2DPP4DPP8DPP9DPP7
SCHEMBL22624456 0.79 EPHX2 (0.45) EPHX2DPP4DPP8DPP9DPP7
SCHEMBL20343392 0.78 HSD11B1 (0.40) EPHX2HSD11B1DPP4DPP8DPP9
SCHEMBL20343596 0.78 HSD11B1 (0.40) EPHX2HSD11B1DPP4DPP8DPP9
SCHEMBL20343589 0.78 HSD11B1 (0.40) EPHX2HSD11B1DPP4DPP8DPP9
SCHEMBL18348011 0.76 CHRNB2 (0.53) HSD11B1DPP4DPP7
SCHEMBL13828093 0.76 EPHX2 (0.44) EPHX2DPP4DPP8DPP9DPP7
SCHEMBL20343439 0.75 HSD11B1 (0.44) HSD11B1DPP4DPP7

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-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2021-02-02 US disclosed
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-10-17 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 (2 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-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME VNN1, DPYD, MVD EPHX2 1659/4885HSD11B1 4206/4885DPP4 89/4885
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme VNN1, DPYD, MVD EPHX2 1772/4885HSD11B1 4296/4885DPP4 74/4885

“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.