SCHEMBL4291600

SCHEMBL4291600

COc1c(F)cccc1NCC[C@@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ACHE P22303 5/20 0.39
BACE1 P56817 5/20 0.39
BCHE P06276 5/20 0.39
SLC6A12 P48065 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 3/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
SIGMAR1 Q99720 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL4290290 0.86 ACHE (0.45) LTA4HACHEBACE1BCHESLC6A12
SCHEMBL4292501 0.83 LTA4H (0.48) LTA4HACHEBACE1DRD2DRD4
SCHEMBL4282272 0.83 LTA4H (0.48) LTA4HACHEBACE1DRD2DRD4
SCHEMBL4422792 0.83 LTA4H (0.48) LTA4HACHEBACE1DRD2DRD4
SCHEMBL4291279 0.83 ACHE (0.46) LTA4HACHEBACE1BCHESLC6A12
SCHEMBL4292168 0.82 ACHE (0.45) LTA4HACHEBACE1BCHEDRD2
SCHEMBL4294444 0.81 ACHE (0.48) LTA4HACHEBACE1BCHEDRD2
SCHEMBL4287399 0.81 LTA4H (0.48) LTA4HACHEBACE1BCHEDRD4
SCHEMBL4286385 0.80 TSHR (0.49) LTA4HACHEBACE1BCHEDRD2
SCHEMBL4284730 0.80 ACHE (0.46) LTA4HKDM4EGAAACHEBACE1

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 LTA4H 1197/4885KDM4E 760/4885GAA 1381/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885KDM4E 760/4885GAA 1381/4885

“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.