SCHEMBL6480129

SCHEMBL6480129

CC(O)C1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.52
PDE4B Q07343 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GRIN2B Q13224 5/20 0.49
PPARG P37231 1/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
LCK P06239 1/20 0.47
HTR2C P28335 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 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
SCHEMBL30401196 1.00 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3279409 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3276657 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3272954 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL13400112 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3272951 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3272961 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6894292 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3279398 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3272957 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 US disclosed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 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 (2 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-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 SMN1; SMN2 3447/4885NPC1 1057/4885RAB9A 838/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 SMN1; SMN2 3447/4885NPC1 1057/4885RAB9A 838/4885

“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.