SCHEMBL4289865

SCHEMBL4289865

COc1cc(C)ccc1NCC[C@@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
ACHE P22303 4/20 0.43
BACE1 P56817 4/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
BCHE P06276 3/20 0.41
DRD4 P21917 3/20 0.40
DRD2 P14416 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD3 P35462 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL4286385 0.93 TSHR (0.49) LTA4HACHEBACE1TSHRALDH1A1
SCHEMBL4292168 0.89 ACHE (0.45) LTA4HACHEBACE1BCHEDRD4
SCHEMBL4292943 0.87 HTT (0.47) LTA4HACHEBACE1TSHRBCHE
SCHEMBL4291279 0.86 ACHE (0.46) LTA4HACHEBACE1ALDH1A1BCHE
SCHEMBL4282250 0.85 LTA4H (0.49) LTA4HACHEBACE1DRD4DRD2
SCHEMBL4284816 0.84 ACHE (0.48) LTA4HACHEBACE1ALDH1A1BCHE
SCHEMBL4288903 0.83 LTA4H (0.49) LTA4HACHEBACE1ALDH1A1DRD4
SCHEMBL4290290 0.83 ACHE (0.45) LTA4HACHEBACE1ALDH1A1BCHE
SCHEMBL4282272 0.82 LTA4H (0.48) LTA4HACHEBACE1DRD4DRD2
SCHEMBL4294444 0.82 ACHE (0.48) LTA4HACHEBACE1BCHEDRD4

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 1197/4885ACHE 698/4885BACE1 1003/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885ACHE 698/4885BACE1 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.