SCHEMBL25824641

SCHEMBL25824641

CC(C)CCNc1cccc(NCCN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
ADRA2A P08913 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KARS1 Q15046 1/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2B6 P20813 1/20 0.37
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL15928754 0.82 MAPT (0.44) CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL9480445 0.79 MAPT (0.48) CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL8090903 0.79 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL24685877 0.79 MAPT (0.44) CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL25824613 0.77 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL1548538 0.77 ALDH1A1 (0.56) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL25824636 0.76 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL9366846 0.76 MAPT (0.77) CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4
Hydrochloric Acid SCHEMBL17710410 0.75 ALDH1A1 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
Carbamic Acid SCHEMBL7402351 0.75 ITGB3 (0.51) MAPTSMN1; SMN2NPC1RAB9AHSD17B10

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 CYP1A2 2835/4885CYP2C9 4266/4885CYP2C19 3628/4885

“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.