SCHEMBL4289616

SCHEMBL4289616

Fc1cc(F)cc(NCC[C@@H]2CN(Cc3ccccc3)CCN2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
SIGMAR1 Q99720 2/20 0.41
BACE1 P56817 5/20 0.40
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
MLNR O43193 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
DRD4 P21917 3/20 0.39
CHRM2 P08172 2/20 0.39
TACR1 P25103 1/20 0.39
DRD2 P14416 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRM1 P11229 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
SCHEMBL4287262 0.92 LTA4H (0.47) LTA4HSIGMAR1BACE1BCHEACHE
SCHEMBL4289743 0.89 LTA4H (0.49) LTA4HSIGMAR1BACE1BCHEACHE
SCHEMBL4048096 0.89 LTA4H (0.53) LTA4HSIGMAR1BACE1BCHEACHE
SCHEMBL4284730 0.84 ACHE (0.46) LTA4HSIGMAR1BACE1BCHEACHE
SCHEMBL4290899 0.84 LTA4H (0.48) LTA4HSIGMAR1BACE1BCHEACHE
SCHEMBL4295880 0.83 MEN1 (0.49) LTA4HBACE1BCHEACHEMLNR
SCHEMBL4294444 0.82 ACHE (0.48) LTA4HBACE1BCHEACHEMLNR
SCHEMBL4284512 0.82 LTA4H (0.53) LTA4HSIGMAR1BACE1BCHEACHE
SCHEMBL4292431 0.81 SMN1; SMN2 (0.48) LTA4HSIGMAR1ACHECYP2D6ALDH1A1
SCHEMBL4292168 0.81 ACHE (0.45) LTA4HBACE1BCHEACHEDRD4

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 1197/4885SIGMAR1 3163/4885BACE1 1003/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885SIGMAR1 3163/4885BACE1 1003/4885

“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.