SCHEMBL4288903

SCHEMBL4288903

COc1ccc(C)c(NCC[C@@H]2CN(Cc3ccccc3)CCN2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
DRD4 P21917 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
KMT2A Q03164 2/20 0.41
MCHR1 Q99705 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACHE P22303 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
HRH2 P25021 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL4282250 0.92 LTA4H (0.49) LTA4HDRD2DRD3DRD4SIGMAR1
SCHEMBL4292501 0.89 LTA4H (0.48) LTA4HDRD2DRD3DRD4SIGMAR1
SCHEMBL4422792 0.89 LTA4H (0.48) LTA4HDRD2DRD3DRD4SIGMAR1
SCHEMBL4292943 0.88 HTT (0.47) LTA4HSIGMAR1KMT2AMEN1ACHE
SCHEMBL4282272 0.87 LTA4H (0.48) LTA4HDRD2DRD3DRD4SIGMAR1
SCHEMBL4295880 0.86 MEN1 (0.49) LTA4HDRD4KMT2AMEN1ALDH1A1
SCHEMBL4287399 0.85 LTA4H (0.48) LTA4HDRD4SIGMAR1ALDH1A1ACHE
SCHEMBL4289865 0.83 LTA4H (0.45) LTA4HDRD2DRD3DRD4SIGMAR1
SCHEMBL4284816 0.83 ACHE (0.48) LTA4HDRD2DRD4ALDH1A1ACHE
SCHEMBL4286385 0.82 TSHR (0.49) LTA4HDRD2DRD4ALDH1A1ACHE

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 1197/4885DRD2 3802/4885DRD3 3476/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885DRD2 3802/4885DRD3 3476/4885

“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.