SCHEMBL4134263

SCHEMBL4134263

COC(=O)C(C)(C)OCc1nnnn1CCC#N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.47
GHSR Q92847 7/20 0.43
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
MAPK14 Q16539 1/20 0.32
FAAH O00519 1/20 0.32
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
SLC16A3 O15427 1/20 0.30
SLC16A1 P53985 1/20 0.30
MCTS1 Q9ULC4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4119014 0.87 NAALAD2 (0.45) NAALAD2GHSRMAPTALOX15KMT2A
SCHEMBL13775773 0.73 GHSR (0.32) GHSR
SCHEMBL7341365 0.72 NAALAD2 (0.50) NAALAD2GHSRMAPTFAAHTDP1
SCHEMBL21515089 0.71 NAALAD2 (0.60) NAALAD2GHSRTDP1
SCHEMBL28504133 0.71 NAALAD2 (0.60) NAALAD2GHSRTDP1
SCHEMBL22069732 0.70 NAALAD2 (0.51) NAALAD2GHSRGLATSHR
SCHEMBL13344348 0.70 NAALAD2 (0.48) NAALAD2GHSRKMT2AGLATSHR
Hydrochloric Acid SCHEMBL21494731 0.70 NAALAD2 (0.58) NAALAD2GHSRTDP1
Hydrochloric Acid SCHEMBL28501489 0.70 NAALAD2 (0.58) NAALAD2GHSRTDP1
SCHEMBL21515088 0.69 NAALAD2 (0.60) NAALAD2GHSR

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR NAALAD2 1319/4885GHSR 796/4885MAPT 4428/4885

“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.