SCHEMBL7979956

SCHEMBL7979956

CCNC(=O)C1CCc2c(cnn2C)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.38
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ITGAV P06756 1/20 0.37
ITGB6 P18564 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
GHSR Q92847 1/20 0.34
CYP11B2 P19099 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TSHR P16473 1/20 0.34
DRD3 P35462 2/20 0.33
KDM5A P29375 1/20 0.33
DRD4 P21917 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
GBA1 P04062 1/20 0.33
MTNR1A P48039 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL22445870 0.80 CYP11B2 (0.38) KDM4ECYP11B2
SCHEMBL30630563 0.79 CYP11B2 (0.38) ITGAVITGB6CYP11B2
SCHEMBL22446022 0.79 KMT2A (0.46) KDM4ETSHR
SCHEMBL1417779 0.77 ALDH1A1 (0.42) TSHR
SCHEMBL7981238 0.74 GAA (0.38) CYP46A1KDM4ERXFP1
SCHEMBL7982099 0.74 CYP46A1 (0.38) CYP46A1BCHEKDM4ERXFP1HRH3
SCHEMBL7967705 0.74 CYP46A1 (0.38) CYP46A1BCHEKDM4ERXFP1HRH3
Hydrochloric Acid SCHEMBL1417604 0.73 CYP46A1 (0.37) CYP46A1BCHEKDM4ERXFP1HRH3
SCHEMBL17869320 0.71 CYP11B2 (0.45) KDM4EITGAVITGB6CYP11B2
SCHEMBL29788958 0.71 CYP11B2 (0.45) KDM4EITGAVITGB6CYP11B2

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-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 CYP46A1 33/4885BCHE 315/4885KDM4E 3912/4885

“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.