SCHEMBL12205337

SCHEMBL12205337

c1ncc(NCC2CCNCC2)cc1NCC1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
HRH4 Q9H3N8 2/20 0.41
PIM2 Q9P1W9 2/20 0.40
PIM1 P11309 2/20 0.40
KHK P50053 1/20 0.40
HTR6 P50406 2/20 0.40
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
PRKCQ Q04759 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
TRIM58 Q8NG06 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL12205189 0.86 CRHR1 (0.39) CHEK1CHEK2ROCK2ROCK1CDC42BPB
SCHEMBL4925453 0.84 ROCK2 (0.45) ROCK2ROCK1CDC42BPBHRH4PIM2
SCHEMBL12205243 0.82 CHRNB4 (0.48) CHEK1PIM1
SCHEMBL12531359 0.80 KDM1A (0.50) ROCK2ROCK1CDC42BPBPIM1PRKCQ
SCHEMBL12205338 0.80 SYK (0.42) CHEK2ROCK2ROCK1CDC42BPBPIM2
SCHEMBL12205340 0.79 APP (0.46) CHEK1CHEK2ROCK2ROCK1CDC42BPB
SCHEMBL12205225 0.79 APP (0.51) CHEK1PIM1
SCHEMBL5349891 0.79 CYP2D6 (0.44) ROCK2ROCK1CDC42BPBHRH4PIM1
Hydrochloric Acid SCHEMBL6149753 0.77 CYP2D6 (0.43) ROCK2ROCK1CDC42BPBHRH4PIM1
Hydrochloric Acid SCHEMBL5395261 0.77 CYP2D6 (0.43) ROCK2ROCK1CDC42BPBHRH4PIM1

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-20110256064-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-like Proteins AC IMMUNE, S.A. (CH) 2011-10-20 US disclosed
EP-2377860-A1 Novel compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC Immune S.A. (CH) 2011-10-19 EP 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-20110256064-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-like Proteins APP, PSEN1, PSEN2 CHEK1 4284/4885CHEK2 4532/4885ROCK2 1309/4885

“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.