SCHEMBL4285377

SCHEMBL4285377

c1ccc(CN2CCN[C@H](Cc3ccncc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
SIGMAR1 Q99720 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 1/20 0.43
CCR3 P51677 1/20 0.43
CCR2 P41597 1/20 0.43
CXCR4 P61073 2/20 0.43
CCR5 P51681 1/20 0.43
TACR1 P25103 1/20 0.43
TRPV6 Q9H1D0 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 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
SCHEMBL18325 0.92 LTA4H (0.61) LTA4HSIGMAR1CYP1A2CYP3A4POLB
SCHEMBL3491795 0.92 LTA4H (0.61) LTA4HSIGMAR1CYP1A2CYP3A4POLB
SCHEMBL24350 0.92 LTA4H (0.61) LTA4HSIGMAR1CYP1A2CYP3A4POLB
Piperazine SCHEMBL6099611 0.87 SIGMAR1 (0.58) LTA4HSIGMAR1CYP1A2CYP3A4CYP2C9
SCHEMBL4290226 0.87 LTA4H (0.52) LTA4HSIGMAR1CXCR4TRPV6ALDH1A1
SCHEMBL6099454 0.85 LTA4H (0.58) LTA4HSIGMAR1CYP1A2CYP3A4CYP2C9
SCHEMBL5361052 0.85 LTA4H (0.58) LTA4HSIGMAR1CYP1A2CYP3A4CYP2C9
SCHEMBL4290430 0.85 LTA4H (0.58) LTA4HSIGMAR1POLBCCR3TACR1
SCHEMBL4468839 0.84 LTA4H (0.57) LTA4HSIGMAR1POLBCCR3TACR1
SCHEMBL3493753 0.84 LTA4H (0.57) LTA4HSIGMAR1POLBCCR3ALDH1A1

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 1197/4885SIGMAR1 3163/4885CYP1A2 89/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885SIGMAR1 3163/4885CYP1A2 89/4885

“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.