SCHEMBL21480105

SCHEMBL21480105

CCC(=O)N1CCC2(CCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
OPRM1 P35372 1/20 0.44
EPHX2 P34913 2/20 0.42
BLM P54132 1/20 0.41
CYP1A2 P05177 3/20 0.40
HSD11B1 P28845 2/20 0.40
CYP2C9 P11712 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL15998851 0.91 ALDH1A1 (0.47) ALDH1A1OPRM1EPHX2BLMCYP1A2
SCHEMBL13131126 0.88 HSD11B1 (0.51) ALDH1A1OPRM1HSD11B1USP2CYP3A4
SCHEMBL25870846 0.86 CYP1A2 (0.44) ALDH1A1OPRM1EPHX2BLMCYP1A2
SCHEMBL25703446 0.83 ALDH1A1 (0.53) ALDH1A1OPRM1EPHX2BLMCYP1A2
SCHEMBL26868241 0.82 CYP1A2 (0.54) ALDH1A1CYP1A2CHRNB2CHRNA3CHRNA4
SCHEMBL18711512 0.81 ALDH1A1 (0.55) ALDH1A1OPRM1EPHX2CYP1A2HSD11B1
SCHEMBL21765702 0.81 OPRM1 (0.53) ALDH1A1OPRM1BLMCYP1A2HSD11B1
SCHEMBL15431457 0.80 OPRM1 (0.41) ALDH1A1OPRM1EPHX2BLMCYP1A2
SCHEMBL26854533 0.80 CHRNB2 (0.44) ALDH1A1OPRM1EPHX2BLMCYP1A2
SCHEMBL15998890 0.79 OPRM1 (0.51) ALDH1A1OPRM1HSD11B1USP2CHRNB2

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 ALDH1A1 416/4885OPRM1 1062/4885EPHX2 1659/4885
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme VNN1, DPYD, MVD ALDH1A1 405/4885OPRM1 843/4885EPHX2 1772/4885

“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.