SCHEMBL4119014

SCHEMBL4119014

CCC(CC)(OCc1nnnn1CCC#N)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.45
GHSR Q92847 4/20 0.39
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL4134263 0.87 NAALAD2 (0.47) NAALAD2GHSRMAPTALOX15KMT2A
SCHEMBL13775774 0.74
SCHEMBL28504133 0.68 NAALAD2 (0.60) NAALAD2GHSR
SCHEMBL21515089 0.68 NAALAD2 (0.60) NAALAD2GHSR
SCHEMBL22069732 0.68 NAALAD2 (0.51) NAALAD2GHSRALDH1A1
Hydrochloric Acid SCHEMBL21494731 0.67 NAALAD2 (0.58) NAALAD2GHSR
SCHEMBL7341365 0.67 NAALAD2 (0.50) NAALAD2GHSRMAPTALDH1A1
Hydrochloric Acid SCHEMBL28501489 0.67 NAALAD2 (0.58) NAALAD2GHSR
SCHEMBL15254266 0.67 NAALAD2 (0.49) NAALAD2GHSRMAPTALOX15KMT2A
SCHEMBL15254268 0.66 NAALAD2 (0.57) NAALAD2GHSRMAPTALOX15KMT2A

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.