SCHEMBL25825577

SCHEMBL25825577

NCCNc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
SIRT2 Q8IXJ6 9/20 0.54
ROCK2 O75116 1/20 0.49
GRK2 P25098 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
GAA P10253 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44

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
SCHEMBL25824651 0.80 L3MBTL1 (0.63) NPC1RAB9AGAA
SCHEMBL2207003 0.80 TAAR1 (0.62) SIRT2NPC1RAB9A
SCHEMBL17912866 0.78 NPC1 (0.60) SIRT2NPC1RAB9AGAADRD2
SCHEMBL920873 0.77 NPC1 (0.56) F2SIRT2NPC1RAB9A
SCHEMBL3426124 0.76 SIRT2 (0.59) SIRT2RAB9ANR1H4
SCHEMBL25822204 0.76 GAA (0.54) SIRT2NPC1RAB9AGAADRD2
SCHEMBL2208821 0.76 MAOA (0.52) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL10065543 0.75 F2 (0.62) F2ROCK2RAB9AGAA
SCHEMBL611324 0.73 TAAR1 (0.62) NPC1RAB9A
SCHEMBL6057426 0.73 MAOB (0.69) SIRT2NPC1RAB9A

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 F2 4830/4885SIRT2 903/4885ROCK2 994/4885

“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.