SCHEMBL2695265

SCHEMBL2695265

CCCCc1cccnc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 1/20 0.40
KDR P35968 1/20 0.39
CYP17A1 P05093 1/20 0.39
ATR Q13535 1/20 0.39
CNR2 P34972 1/20 0.39
GRM5 P41594 1/20 0.39
SREBF2 Q12772 1/20 0.39
CTSK P43235 2/20 0.38
MME P08473 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
GLS O94925 1/20 0.38
P2RY1 P47900 1/20 0.37
SLC13A5 Q86YT5 2/20 0.37

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
SCHEMBL2696598 0.92 GRM5 (0.46) METAP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7382660 0.90 METAP1 (0.42) METAP1KDM4ENAMPTCYP17A1ATR
SCHEMBL30450099 0.90 METAP1 (0.42) METAP1KDM4ENAMPTCYP17A1ATR
SCHEMBL29919808 0.89 METAP1 (0.45) METAP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL69347 0.89 METAP1 (0.45) METAP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2693327 0.87 METAP1 (0.43) METAP1KDM4EALDH1A1NAMPTCYP17A1
SCHEMBL7419909 0.87 METAP1 (0.39) METAP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27703346 0.85 METAP1 (0.44) METAP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7410155 0.85 LMNA (0.39) METAP1KDM4ECNR2
SCHEMBL8609349 0.84 METAP1 (0.42) METAP1KDM4ENAMPTCYP17A1ATR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 METAP1 4461/4885KDM4E 1059/4885ALDH1A1 3382/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 METAP1 4461/4885KDM4E 1059/4885ALDH1A1 3382/4885

“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.