SCHEMBL4286385

SCHEMBL4286385

COc1ccc(C)cc1NCC[C@@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HTR6 P50406 2/20 0.45
LTA4H P09960 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 5/20 0.43
BACE1 P56817 4/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
BCHE P06276 3/20 0.42
DRD4 P21917 3/20 0.40
GRIN2B Q13224 1/20 0.40
DRD2 P14416 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
SCHEMBL4289865 0.93 LTA4H (0.45) TSHRHTR6LTA4HLMNAHPGD
SCHEMBL4292943 0.88 HTT (0.47) TSHRLTA4HLMNAACHEBACE1
SCHEMBL4282960 0.87 HTR6 (0.43) HTR6LTA4HLMNAACHEBACE1
SCHEMBL4291279 0.85 ACHE (0.46) HTR6LTA4HLMNAACHEBACE1
SCHEMBL4292168 0.84 ACHE (0.45) HTR6LTA4HLMNAACHEBACE1
SCHEMBL4284816 0.83 ACHE (0.48) LTA4HLMNAACHEBACE1ALDH1A1
SCHEMBL4290290 0.82 ACHE (0.45) HTR6LTA4HLMNAACHEBACE1
SCHEMBL4282250 0.82 LTA4H (0.49) LTA4HACHEBACE1DRD4DRD2
SCHEMBL4288903 0.82 LTA4H (0.49) LTA4HSMN1; SMN2ACHEBACE1ALDH1A1
SCHEMBL4294444 0.81 ACHE (0.48) LTA4HLMNAACHEBACE1BCHE

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 TSHR 3226/4885HTR6 2808/4885LTA4H 1197/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TSHR 3226/4885HTR6 2808/4885LTA4H 1197/4885

“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.