SCHEMBL4292168

SCHEMBL4292168

COc1cc(F)ccc1NCC[C@@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.45
BACE1 P56817 5/20 0.45
LTA4H P09960 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
DRD4 P21917 4/20 0.41
BCHE P06276 3/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
DRD2 P14416 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTR6 P50406 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 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
SCHEMBL4289865 0.89 LTA4H (0.45) ACHEBACE1LTA4HDRD4BCHE
SCHEMBL4290290 0.88 ACHE (0.45) ACHEBACE1LTA4HDRD4BCHE
SCHEMBL4284730 0.88 ACHE (0.46) ACHEBACE1LTA4HMKNK1DRD4
SCHEMBL4295880 0.86 MEN1 (0.49) ACHEBACE1LTA4HDRD4BCHE
SCHEMBL4282272 0.85 LTA4H (0.48) ACHEBACE1LTA4HDRD4DRD2
SCHEMBL4294444 0.85 ACHE (0.48) ACHEBACE1LTA4HDRD4BCHE
SCHEMBL4291279 0.85 ACHE (0.46) ACHEBACE1LTA4HDRD4BCHE
SCHEMBL4286385 0.84 TSHR (0.49) ACHEBACE1LTA4HDRD4BCHE
SCHEMBL4422792 0.83 LTA4H (0.48) ACHEBACE1LTA4HDRD4DRD2
SCHEMBL4292501 0.83 LTA4H (0.48) ACHEBACE1LTA4HDRD4DRD2

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.