SCHEMBL21480134

SCHEMBL21480134

CC(=O)N1[C@@H]2CCC[C@H]1CC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
CHRM4 P08173 2/20 0.37
RECQL P46063 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.34
GRM5 P41594 1/20 0.33
PREP P48147 1/20 0.32
EPHX2 P34913 2/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL12357446 1.00 SMN1; SMN2 (0.46) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL14110948 0.92 SMN1; SMN2 (0.53) SMN1; SMN2CHRM2CHRM1CHRM3GRM5
SCHEMBL18711900 0.84 SMN1; SMN2 (0.37) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL17572004 0.81 SMN1; SMN2 (0.39) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL20690443 0.81 SMN1; SMN2 (0.39) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL25097073 0.80 SMN1; SMN2 (0.37) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4
SCHEMBL27139 0.76 RECQL (0.32) CHRM2CHRM1CHRM3CHRM4RECQL
SCHEMBL23309153 0.75 CHRM2 (0.37) CHRM2CHRM1CHRM3RECQLMAPK1
SCHEMBL17572101 0.75 SMN1; SMN2 (0.42) SMN1; SMN2GRM5
SCHEMBL23245840 0.75 CHRM2 (0.55) SMN1; SMN2CHRM2CHRM1CHRM3CHRM4

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 SMN1; SMN2 3541/4885CHRM2 3041/4885CHRM1 2261/4885
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme VNN1, DPYD, MVD SMN1; SMN2 2887/4885CHRM2 2944/4885CHRM1 2117/4885

“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.