SCHEMBL24938786

SCHEMBL24938786

Oc1cnn2c(O)ccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
CLK4 Q9HAZ1 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.35
MAP2K1 Q02750 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
KDM4D Q6B0I6 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
PIM1 P11309 1/20 0.32
AKT1 P31749 1/20 0.32
GSK3A P49840 1/20 0.32
PIM3 Q86V86 1/20 0.32
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
TLR8 Q9NR97 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
SCHEMBL19201115 0.80 KDR (0.44) KDM4EALDH1A1CLK4HPGDHTT
SCHEMBL7577615 0.76 KDM4E (0.36) KDM4EALDH1A1CLK4HPGDHTT
SCHEMBL13990623 0.69 NPC1 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2PIM1
SCHEMBL4794157 0.68 KDM4E (0.61) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11776811 0.68 TLR8 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL8992934 0.67 GPR119 (0.47) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL10436137 0.64 NTRK1 (0.33) KDM4EHTTSMN1; SMN2PIM1NPC1
SCHEMBL1333523 0.64 ALDH1A1 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL30786518 0.64 PDE10A (0.34) AKT1
SCHEMBL8765848 0.62

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-20230020036-A1 TREATMENT OF EPILEPTIC CONDITIONS WITH GABAA RECEPTOR MODULATORS NEUROCYCLE THERAPEUTICS, INC. 2023-01-19 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 (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-20230020036-A1 TREATMENT OF EPILEPTIC CONDITIONS WITH GABAA RECEPTOR MODULATORS GABRB2, GABRB1, GABBR1 KDM4E 3783/4885ALDH1A1 1052/4885CLK4 4280/4885

“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.