SCHEMBL4283381

SCHEMBL4283381

c1ccc(CN2CCN[C@H](Cc3ccccn3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
SIGMAR1 Q99720 2/20 0.46
CXCR4 P61073 4/20 0.45
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 1/20 0.42
TACR1 P25103 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 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
SCHEMBL3491795 0.83 LTA4H (0.61) LTA4HSIGMAR1CYP3A4CYP2D6TACR1
SCHEMBL24350 0.83 LTA4H (0.61) LTA4HSIGMAR1CYP3A4CYP2D6TACR1
SCHEMBL18325 0.83 LTA4H (0.61) LTA4HSIGMAR1CYP3A4CYP2D6TACR1
SCHEMBL4281373 0.82 LTA4H (0.53) LTA4HSIGMAR1CXCR4CYP3A4CYP2D6
SCHEMBL4285377 0.82 LTA4H (0.54) LTA4HSIGMAR1CXCR4CYP3A4CYP2C9
Piperazine SCHEMBL6099611 0.80 SIGMAR1 (0.58) LTA4HSIGMAR1CXCR4CYP3A4CYP2C9
SCHEMBL4290226 0.80 LTA4H (0.52) LTA4HSIGMAR1CXCR4SMN1; SMN2ALDH1A1
SCHEMBL21744746 0.79 LMNA (0.51) LTA4HSIGMAR1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL6099454 0.77 LTA4H (0.58) LTA4HSIGMAR1CYP3A4CYP2C9CYP2D6
SCHEMBL5361052 0.77 LTA4H (0.58) LTA4HSIGMAR1CYP3A4CYP2C9CYP2D6

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 3163/4885CXCR4 3648/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LTA4H 1197/4885SIGMAR1 3163/4885CXCR4 3648/4885

“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.