SCHEMBL4288685

SCHEMBL4288685

c1ccc(CN2CCNC(Cc3ccccc3-c3ccccc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
TACR1 P25103 1/20 0.46
SIGMAR1 Q99720 3/20 0.44
USP30 Q70CQ3 1/20 0.41
HTR7 P34969 1/20 0.41
CYP2D6 P10635 2/20 0.40
MLNR O43193 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CCR3 P51677 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
SCHEMBL18325 0.83 LTA4H (0.61) LTA4HTACR1SIGMAR1CYP2D6CYP1A2
SCHEMBL24350 0.83 LTA4H (0.61) LTA4HTACR1SIGMAR1CYP2D6CYP1A2
SCHEMBL3491795 0.83 LTA4H (0.61) LTA4HTACR1SIGMAR1CYP2D6CYP1A2
SCHEMBL4282463 0.83 LTA4H (0.53) LTA4HTACR1SIGMAR1CYP2D6CYP1A2
SCHEMBL4287182 0.83 LTA4H (0.53) LTA4HTACR1SIGMAR1CYP2D6CYP1A2
SCHEMBL4290430 0.83 LTA4H (0.58) LTA4HTACR1SIGMAR1CYP2D6CYP2C19
SCHEMBL4472251 0.81 CNR2 (0.54) LTA4HTACR1SIGMAR1CYP2D6ALDH1A1
SCHEMBL4472249 0.81 CNR2 (0.54) LTA4HTACR1SIGMAR1CYP2D6ALDH1A1
SCHEMBL4474543 0.81 CNR2 (0.54) LTA4HTACR1SIGMAR1CYP2D6ALDH1A1
SCHEMBL7470933 0.81 LTA4H (0.51) LTA4HTACR1SIGMAR1CYP2D6

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 1197/4885TACR1 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.