SCHEMBL4290430

SCHEMBL4290430

c1ccc(CN2CCN[C@H](Cc3ccc(-c4ccccc4)cc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
CYP2D6 P10635 2/20 0.48
SIGMAR1 Q99720 2/20 0.47
POLB P06746 1/20 0.44
CCR3 P51677 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
TACR1 P25103 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CHKA P35790 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL3491795 0.93 LTA4H (0.61) LTA4HCYP2D6SIGMAR1POLBCCR3
SCHEMBL18325 0.93 LTA4H (0.61) LTA4HCYP2D6SIGMAR1POLBCCR3
SCHEMBL24350 0.93 LTA4H (0.61) LTA4HCYP2D6SIGMAR1POLBCCR3
SCHEMBL5361052 0.89 LTA4H (0.58) LTA4HCYP2D6SIGMAR1POLBCCR3
SCHEMBL6099454 0.89 LTA4H (0.58) LTA4HCYP2D6SIGMAR1POLBCCR3
Piperazine SCHEMBL6099611 0.89 SIGMAR1 (0.58) LTA4HCYP2D6SIGMAR1POLBCCR3
SCHEMBL3493484 0.88 LTA4H (0.57) LTA4HSIGMAR1DRD4TACR1
SCHEMBL4468845 0.88 LTA4H (0.57) LTA4HSIGMAR1POLBCCR3TACR1
SCHEMBL3555352 0.88 LTA4H (0.57) LTA4HSIGMAR1POLBCCR3TACR1
SCHEMBL4468839 0.88 LTA4H (0.57) LTA4HSIGMAR1POLBCCR3TACR1

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 1197/4885CYP2D6 173/4885SIGMAR1 3163/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885CYP2D6 173/4885SIGMAR1 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.