SCHEMBL4294444

SCHEMBL4294444

COc1cc(NCC[C@@H]2CN(Cc3ccccc3)CCN2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
BACE1 P56817 4/20 0.48
LTA4H P09960 1/20 0.45
DRD4 P21917 4/20 0.43
MCHR1 Q99705 2/20 0.42
BCHE P06276 1/20 0.41
DRD2 P14416 1/20 0.40
CHRM4 P08173 2/20 0.40
LMNA P02545 1/20 0.39
MLNR O43193 3/20 0.39
TARDBP Q13148 1/20 0.39

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
SCHEMBL4284816 0.90 ACHE (0.48) ACHEBACE1LTA4HDRD4BCHE
SCHEMBL4292168 0.85 ACHE (0.45) ACHEBACE1LTA4HDRD4BCHE
SCHEMBL4422792 0.84 LTA4H (0.48) ACHEBACE1LTA4HDRD4MCHR1
SCHEMBL4292501 0.84 LTA4H (0.48) ACHEBACE1LTA4HDRD4MCHR1
SCHEMBL5370269 0.83 LTA4H (0.51) ACHEBACE1LTA4HDRD4MCHR1
SCHEMBL4290290 0.83 ACHE (0.45) ACHEBACE1LTA4HDRD4BCHE
SCHEMBL4289743 0.83 LTA4H (0.49) ACHEBACE1LTA4HDRD4MCHR1
SCHEMBL4048096 0.83 LTA4H (0.53) ACHEBACE1LTA4HDRD4BCHE
SCHEMBL4282272 0.82 LTA4H (0.48) ACHEBACE1LTA4HDRD4MCHR1
SCHEMBL4289865 0.82 LTA4H (0.45) ACHEBACE1LTA4HDRD4BCHE

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 1003/4885LTA4H 1197/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ACHE 698/4885BACE1 1003/4885LTA4H 1197/4885

“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.