SCHEMBL7981238

SCHEMBL7981238

CCNC(=O)C1CCc2nn(C)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.37
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL31348148 0.82 HPGD (0.36) GAAHPGDSMN1; SMN2ALDH1A1F2
SCHEMBL22445778 0.80 TBXAS1 (0.39) GAAHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL22445819 0.79 PDK1 (0.48) GAAALDH1A1KMT2AKDM4EMAPT
SCHEMBL1417796 0.77 ALDH1A1 (0.40) GAASMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL7979956 0.74 CYP46A1 (0.38) CYP46A1KDM4ERXFP1
SCHEMBL7967705 0.74 CYP46A1 (0.38) HPGDCYP46A1KDM4EMAPTRXFP1
Hydrochloric Acid SCHEMBL1417604 0.73 CYP46A1 (0.37) HPGDCYP46A1KDM4EMAPTRXFP1
SCHEMBL12424353 0.71 F2 (0.37) GAAHPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7982099 0.71 CYP46A1 (0.38) HPGDCYP46A1KDM4EMAPTRXFP1
SCHEMBL15014621 0.69 HPGD (0.47) GAAHPGDSMN1; SMN2ALDH1A1KMT2A

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 5 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-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
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 GAA 1904/4885HPGD 190/4885CYP46A1 33/4885

“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.