SCHEMBL5996863

SCHEMBL5996863

CC(C(=O)O)n1nnc(CO)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
POLB P06746 3/20 0.33
APAF1 O14727 3/20 0.33
LMNA P02545 1/20 0.33
MGLL Q99685 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DAGLA Q9Y4D2 3/20 0.32
GRIK1 P39086 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
KMT2A Q03164 1/20 0.30
TRPV1 Q8NER1 2/20 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
SCHEMBL9217375 0.77 ALDH1A1 (0.38) ALDH1A1POLBAPAF1LMNANPSR1
SCHEMBL17627018 0.76 POLB (0.37) ALDH1A1POLBNPSR1KDM4EHPGD
SCHEMBL3730682 0.73 POLB (0.33) ALDH1A1POLBKDM4E
SCHEMBL3508465 0.72 FAAH (0.34) ALDH1A1MGLLDAGLATRPV1
SCHEMBL5998376 0.66 ALDH1A1 (0.39) ALDH1A1POLBMGLLKDM4EHPGD
SCHEMBL3712685 0.65 DAGLA (0.34) KDM4EDAGLAGRIK1GRIA1GRIA2
SCHEMBL5998647 0.64 NOTUM (0.41) KDM4E
SCHEMBL13174628 0.60 ALDH1A1 (0.44) ALDH1A1POLBAPAF1LMNAKDM4E
SCHEMBL907712 0.60 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2A
SCHEMBL14417042 0.59 GRIK1 (0.36) ALDH1A1KDM4EHPGDGRIK1GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 ALDH1A1 1073/4885POLB 3995/4885APAF1 638/4885

“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.