SCHEMBL7982099

SCHEMBL7982099

CCNC(=O)C1CCc2c(ncn2C)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.38
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM5A P29375 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2A P29274 1/20 0.33
MTNR1A P48039 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 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
SCHEMBL7967705 0.90 CYP46A1 (0.38) CYP46A1BCHEKDM4EHRH3TSHR
Hydrochloric Acid SCHEMBL1417604 0.88 CYP46A1 (0.37) CYP46A1BCHEKDM4EHRH3TSHR
SCHEMBL7333294 0.80 KDM4E (0.40) KDM4EMMP3MMP8LMNA
SCHEMBL1418014 0.78 CYP46A1 (0.41) CYP46A1TSHRRXFP1MTNR1A
SCHEMBL20322581 0.75 ELANE (0.38) HRH3MMP3MMP8
SCHEMBL7979956 0.74 CYP46A1 (0.38) CYP46A1BCHEKDM4EHRH3TSHR
SCHEMBL7981238 0.71 GAA (0.38) CYP46A1KDM4EMAPTRXFP1HPGD
SCHEMBL1417838 0.71 CYP46A1 (0.41) CYP46A1TSHRRXFP1MTNR1A
SCHEMBL31132517 0.69 MMP3 (0.41) KDM4EMMP3MMP8HPGD
SCHEMBL7334999 0.69 MMP3 (0.39) KDM4EMMP3MMP8LMNA

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.