SCHEMBL4281373

SCHEMBL4281373

c1ccc(CN2CCN[C@H](Cc3c[nH]cn3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
SIGMAR1 Q99720 2/20 0.42
TACR1 P25103 1/20 0.42
CXCR4 P61073 2/20 0.40
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CCR3 P51677 1/20 0.37
MC4R P32245 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL4283381 0.82 LTA4H (0.55) LTA4HSIGMAR1TACR1CXCR4CYP2D6
SCHEMBL18325 0.81 LTA4H (0.61) LTA4HSIGMAR1TACR1CYP2D6CYP1A2
SCHEMBL3491795 0.81 LTA4H (0.61) LTA4HSIGMAR1TACR1CYP2D6CYP1A2
SCHEMBL24350 0.81 LTA4H (0.61) LTA4HSIGMAR1TACR1CYP2D6CYP1A2
Piperazine SCHEMBL6099611 0.78 SIGMAR1 (0.58) LTA4HSIGMAR1TACR1CXCR4CYP2D6
SCHEMBL4285377 0.77 LTA4H (0.54) LTA4HSIGMAR1TACR1CXCR4CYP1A2
SCHEMBL15670332 0.76 LTA4H (0.49) LTA4HSIGMAR1HRH3CCR3
SCHEMBL6099454 0.76 LTA4H (0.58) LTA4HSIGMAR1TACR1CYP2D6CYP1A2
SCHEMBL5361052 0.76 LTA4H (0.58) LTA4HSIGMAR1TACR1CYP2D6CYP1A2
SCHEMBL4290430 0.76 LTA4H (0.58) LTA4HSIGMAR1TACR1CYP2D6CYP2C19

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 8 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
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 1197/4885SIGMAR1 3163/4885TACR1 97/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885SIGMAR1 3163/4885TACR1 97/4885

“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.