SCHEMBL14019686

SCHEMBL14019686

COC(=O)C(N)Cc1cn(P)cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 8/20 0.35
CPB1 P15086 4/20 0.34
ALDH1A1 P00352 1/20 0.34
SIRT2 Q8IXJ6 6/20 0.33
PTGS2 P35354 2/20 0.33

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
SCHEMBL1693106 0.84 CYP2C9 (0.44) CPB2CPB1ALDH1A1
SCHEMBL2736340 0.84 CYP2C9 (0.44) CPB2CPB1ALDH1A1
Hydrochloric Acid SCHEMBL29400350 0.82 TDP1 (0.45) CPB2CPB1ALDH1A1
SCHEMBL7950368 0.82 CPB2 (0.35) CPB2CPB1ALDH1A1SIRT2PTGS2
SCHEMBL15307666 0.82 SIRT2 (0.40) CPB2CPB1ALDH1A1SIRT2
Hydrochloric Acid SCHEMBL2939066 0.81 ALDH1A1 (0.36) CPB2CPB1ALDH1A1SIRT2PTGS2
SCHEMBL8348975 0.79 CPB2 (0.57) CPB2CPB1
SCHEMBL13617438 0.77 CPB2 (0.59) CPB2CPB1SIRT2
SCHEMBL30786466 0.77 CPB2 (0.37) CPB2CPB1SIRT2
SCHEMBL8349095 0.77 CPB2 (0.44) CPB2CPB1

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-20080255090-A1 Ceratamines A and B, and Analogues, Syntheses and Pharmaceutical Compositions Thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-10-16 US disclosed
US-20080255090-A1 Ceratamines A and B, and Analogues, Syntheses and Pharmaceutical Compositions Thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-10-16 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 (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-20080255090-A1 Ceratamines A and B, and Analogues, Syntheses and Pharmaceutical Compositions Thereof MSR1, HRH3, SNRPD3 CPB2 3941/4885CPB1 3889/4885ALDH1A1 3637/4885

“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.