SCHEMBL13849595

SCHEMBL13849595

CNC1CCN(CCOc2cccc(CC(=O)OC)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.55
LTA4H P09960 9/20 0.53
SIGMAR1 Q99720 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 5/20 0.48
HTR7 P34969 5/20 0.48
DRD2 P14416 1/20 0.47
HTR6 P50406 1/20 0.47
GLS O94925 1/20 0.46

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
SCHEMBL4145891 0.90 LTA4H (0.56) KDM1ALTA4HSIGMAR1KDM4EALDH1A1
SCHEMBL12922895 0.83 GLS (0.61) KDM4EALDH1A1SMN1; SMN2GLS
SCHEMBL13850499 0.83 SMN1; SMN2 (0.52) LTA4HSIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4139801 0.83 KDM4E (0.60) KDM1ALTA4HSIGMAR1KDM4EALDH1A1
SCHEMBL13850446 0.80 CCR5 (0.49) KDM1ALTA4HSIGMAR1KDM4EALDH1A1
SCHEMBL2768717 0.76 SLC7A5 (0.48) SIGMAR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7399430 0.75 TMEM97 (0.63) LTA4HSIGMAR1KDM4E
SCHEMBL4591522 0.75 KDM4E (0.52) LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL3334714 0.74 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2GLS
SCHEMBL28588436 0.74 KMT2A (0.55) KDM4EALDH1A1SMN1; SMN2

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-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 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-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 KDM1A 841/4885LTA4H 1647/4885SIGMAR1 246/4885

“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.