SCHEMBL4284730

SCHEMBL4284730

Fc1ccc(NCC[C@@H]2CN(Cc3ccccc3)CCN2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.46
BACE1 P56817 5/20 0.46
BCHE P06276 4/20 0.46
LTA4H P09960 1/20 0.45
EEF2K O00418 1/20 0.44
SIGMAR1 Q99720 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM4 P08173 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
DRD4 P21917 3/20 0.39
DRD2 P14416 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4292168 0.88 ACHE (0.45) ACHEBACE1BCHELTA4HMEN1
SCHEMBL4295880 0.88 MEN1 (0.49) ACHEBACE1BCHELTA4HMEN1
SCHEMBL4282272 0.87 LTA4H (0.48) ACHEBACE1LTA4HSIGMAR1MEN1
SCHEMBL4287262 0.86 LTA4H (0.47) ACHEBACE1BCHELTA4HSIGMAR1
SCHEMBL4289743 0.85 LTA4H (0.49) ACHEBACE1BCHELTA4HSIGMAR1
SCHEMBL4289616 0.84 LTA4H (0.48) ACHEBACE1BCHELTA4HSIGMAR1
SCHEMBL4048096 0.83 LTA4H (0.53) ACHEBACE1BCHELTA4HSIGMAR1
SCHEMBL4422792 0.81 LTA4H (0.48) ACHEBACE1LTA4HSIGMAR1MEN1
SCHEMBL4292501 0.81 LTA4H (0.48) ACHEBACE1LTA4HSIGMAR1MEN1
SCHEMBL4287399 0.80 LTA4H (0.48) ACHEBACE1BCHELTA4HSIGMAR1

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ACHE 698/4885BACE1 1003/4885BCHE 997/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ACHE 698/4885BACE1 1003/4885BCHE 997/4885

“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.