SCHEMBL4284512

SCHEMBL4284512

Fc1cc(F)cc(C[C@@H]2CN(Cc3ccccc3)CCN2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
TACR1 P25103 2/20 0.47
SIGMAR1 Q99720 3/20 0.45
BACE1 P56817 6/20 0.41
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
MLNR O43193 1/20 0.41
DRD4 P21917 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4288249 0.91 LTA4H (0.52) LTA4HTACR1SIGMAR1BACE1BCHE
SCHEMBL3493484 0.88 LTA4H (0.57) LTA4HTACR1SIGMAR1BACE1BCHE
SCHEMBL27573513 0.88 LTA4H (0.57) LTA4HTACR1SIGMAR1BACE1BCHE
SCHEMBL18325 0.87 LTA4H (0.61) LTA4HTACR1SIGMAR1BACE1BCHE
SCHEMBL3491795 0.87 LTA4H (0.61) LTA4HTACR1SIGMAR1BACE1BCHE
SCHEMBL24350 0.87 LTA4H (0.61) LTA4HTACR1SIGMAR1BACE1BCHE
SCHEMBL4289658 0.85 LTA4H (0.54) LTA4HTACR1SIGMAR1BACE1BCHE
Piperazine SCHEMBL6099611 0.83 SIGMAR1 (0.58) LTA4HTACR1SIGMAR1CYP1A2CYP3A4
SCHEMBL4289493 0.82 LTA4H (0.51) LTA4HTACR1SIGMAR1BACE1BCHE
SCHEMBL5363784 0.82 LTA4H (0.51) LTA4HTACR1SIGMAR1BACE1BCHE

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 7 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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 LTA4H 1197/4885TACR1 97/4885SIGMAR1 3163/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885TACR1 97/4885SIGMAR1 3163/4885

“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.