SCHEMBL25822204

SCHEMBL25822204

NNCCOc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
DRD4 P21917 3/20 0.53
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
MAOA P21397 4/20 0.52
MAOB P27338 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ADRA1A P35348 2/20 0.52
KDM1A O60341 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
IDO1 P14902 1/20 0.52

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
SCHEMBL25822235 0.92 DRD4 (0.59) GAADRD4DRD2DRD3MAOA
SCHEMBL17912866 0.86 NPC1 (0.60) GAADRD4DRD2DRD3MAOA
SCHEMBL19291688 0.84 HTR1B (0.66) GAADRD4DRD2DRD3NPC1
SCHEMBL25822271 0.83 ADRA1D (0.49) GAADRD4DRD2DRD3MAOB
SCHEMBL25822248 0.82 DRD4 (0.48) DRD4DRD2DRD3MAOBADRA1A
SCHEMBL25822267 0.82 DRD4 (0.48) DRD4DRD2DRD3MAOBADRA1A
SCHEMBL2207003 0.81 TAAR1 (0.62) MAOAMAOBNPC1RAB9ASIRT2
SCHEMBL25822292 0.81 DRD4 (0.47) DRD4DRD2DRD3MAOBADRA1A
SCHEMBL11402571 0.80 DRD4 (0.63) GAADRD4DRD2DRD3NPC1
Hydrochloric Acid SCHEMBL11130456 0.79 DRD4 (0.61) GAADRD4DRD2DRD3NPC1

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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER GAA 30/4885DRD4 1241/4885DRD2 1703/4885

“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.