SCHEMBL4284135

SCHEMBL4284135

Fc1ccccc1C=C[C@@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
LTA4H P09960 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 1/20 0.42
BCHE P06276 5/20 0.40
ACHE P22303 5/20 0.40
BACE1 P56817 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MC4R P32245 1/20 0.36
MLNR O43193 1/20 0.36

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
SCHEMBL4284132 1.00 SIGMAR1 (0.42) SIGMAR1LTA4HMAOAMAOBBCHE
SCHEMBL13705086 0.83 SIGMAR1 (0.47) SIGMAR1LTA4HBCHEACHEBACE1
SCHEMBL3491147 0.78 SIGMAR1 (0.47) SIGMAR1LTA4HBCHEACHEBACE1
SCHEMBL3491145 0.78 SIGMAR1 (0.47) SIGMAR1LTA4HBCHEACHEBACE1
SCHEMBL8235679 0.78 LTA4H (0.45) SIGMAR1LTA4HBCHEACHEBACE1
Hydrochloric Acid SCHEMBL3493621 0.77 LTA4H (0.44) SIGMAR1LTA4HBCHEACHEBACE1
Hydrochloric Acid SCHEMBL3493627 0.77 LTA4H (0.44) SIGMAR1LTA4HBCHEACHEBACE1
SCHEMBL7247422 0.76 SIGMAR1 (0.51) SIGMAR1LTA4HBCHEACHEBACE1
SCHEMBL4281674 0.73 L3MBTL1 (0.47) SIGMAR1MAOAMAOBL3MBTL1KDM4E
SCHEMBL4281677 0.73 L3MBTL1 (0.47) SIGMAR1MAOAMAOBL3MBTL1KDM4E

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 3 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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 SIGMAR1 3163/4885LTA4H 1197/4885MAOA 660/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885LTA4H 1197/4885MAOA 660/4885

“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.