SCHEMBL4289743

SCHEMBL4289743

Fc1ccc(NCC[C@@H]2CN(Cc3ccccc3)CCN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
BACE1 P56817 3/20 0.46
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MLNR O43193 2/20 0.42
CYP3A4 P08684 1/20 0.42
TACR1 P25103 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
SLC6A12 P48065 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL4048096 0.93 LTA4H (0.53) LTA4HGAAL3MBTL1BCHEACHE
SCHEMBL4290899 0.89 LTA4H (0.48) LTA4HBCHEACHEBACE1ALDH1A1
SCHEMBL4289616 0.89 LTA4H (0.48) LTA4HBCHEACHEBACE1DRD4
SCHEMBL4287262 0.88 LTA4H (0.47) LTA4HBCHEACHEBACE1DRD4
SCHEMBL4284730 0.85 ACHE (0.46) LTA4HGAABCHEACHEBACE1
SCHEMBL8123690 0.85 LTA4H (0.52) LTA4HGAABCHEACHEBACE1
SCHEMBL4295880 0.84 MEN1 (0.49) LTA4HBCHEACHEBACE1DRD4
SCHEMBL4294444 0.83 ACHE (0.48) LTA4HBCHEACHEBACE1DRD4
SCHEMBL4292431 0.82 SMN1; SMN2 (0.48) LTA4HACHEALDH1A1SIGMAR1SLC6A12
SCHEMBL4292168 0.82 ACHE (0.45) LTA4HBCHEACHEBACE1DRD4

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 4 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
EP-2027104-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007051735-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 WO 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 1197/4885GAA 1381/4885L3MBTL1 3597/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885GAA 1381/4885L3MBTL1 3597/4885

“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.