SCHEMBL4294076

SCHEMBL4294076

Cc1nc2cc(OCC[C@@H]3CN(C(=O)O)CCN3)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
ACACB O00763 1/20 0.37
SCN9A Q15858 9/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCN10A Q9Y5Y9 3/20 0.35
FAAH O00519 1/20 0.35
DRD2 P14416 1/20 0.35
S1PR1 P21453 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
SCHEMBL4285108 0.93 SIGMAR1 (0.39) SIGMAR1SCN9ASCN10A
SCHEMBL4289860 0.89 GAA (0.41) SIGMAR1RAB9ASCN9ASCN10AS1PR1
SCHEMBL8112899 0.87 CXCR4 (0.39) SIGMAR1RAB9AFAAH
SCHEMBL4281943 0.87 POLB (0.43) SIGMAR1LMNA
SCHEMBL4282219 0.82 RAB9A (0.38) LMNARAB9AACACBKDM4EHPGD
SCHEMBL4281841 0.81 KMT2A (0.39) SIGMAR1RAB9ASCN9ASCN10AS1PR1
SCHEMBL4287230 0.81 RAB9A (0.42) LMNARAB9AKDM4EHPGDHSD17B10
SCHEMBL4293498 0.81 MAPT (0.47) LMNARAB9ASCN9AKDM4EHSD17B10
SCHEMBL4283989 0.81 CYP3A4 (0.40) RAB9A
SCHEMBL4752778 0.81 RAB9A (0.44) RAB9AHPGDDRD2

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 3 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-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 SIGMAR1 3163/4885LMNA 1785/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885LMNA 1785/4885RAB9A 1247/4885

“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.