SCHEMBL4287262

SCHEMBL4287262

Fc1cccc(NCC[C@@H]2CN(Cc3ccccc3)CCN2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
MLNR O43193 6/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
FAAH O00519 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
MC4R P32245 1/20 0.40
MKNK1 Q9BUB5 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
SCHEMBL4289616 0.92 LTA4H (0.48) LTA4HMLNRCYP3A4CYP2D6KCNH2
SCHEMBL4048096 0.91 LTA4H (0.53) LTA4HCYP3A4CYP2D6ALDH1A1DRD4
SCHEMBL4289743 0.88 LTA4H (0.49) LTA4HMLNRCYP3A4ALDH1A1DRD2
SCHEMBL4284730 0.86 ACHE (0.46) LTA4HALDH1A1KMT2ADRD2DRD4
SCHEMBL4295880 0.84 MEN1 (0.49) LTA4HMLNRALDH1A1POLBKMT2A
SCHEMBL4296423 0.83 KMT2A (0.48) LTA4HKMT2ADRD4BCHE
SCHEMBL4431617 0.83 KMT2A (0.48) LTA4HKMT2ADRD4BCHE
SCHEMBL4290899 0.83 LTA4H (0.48) LTA4HALDH1A1POLBSIGMAR1BCHE
SCHEMBL4292168 0.82 ACHE (0.45) LTA4HPOLBKMT2ADRD2DRD4
SCHEMBL4288249 0.82 LTA4H (0.52) LTA4HMLNRALDH1A1KMT2ADRD2

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 1197/4885MLNR 539/4885CYP3A4 50/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885MLNR 539/4885CYP3A4 50/4885

“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.