SCHEMBL4281106

SCHEMBL4281106

COc1cccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.39
LMNA P02545 1/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
USP30 Q70CQ3 1/20 0.37
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 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
SCHEMBL4285501 0.89 RAB9A (0.41) GRIN1GRIN2BKDM4ERAB9AGAA
SCHEMBL4287638 0.89 LMNA (0.50) LMNAKDM4EPOLBTDP1ALDH1A1
SCHEMBL4285550 0.88 MEN1 (0.40) LMNAKDM4ETDP1ALDH1A1DRD2
SCHEMBL4293729 0.88 MAPK1 (0.41) LMNAKDM4EGAAALDH1A1
SCHEMBL4284656 0.86 FFAR1 (0.42) KDM4EPOLBALDH1A1
SCHEMBL4294041 0.86 HCRTR1 (0.40) KDM4EPOLBALDH1A1
SCHEMBL4282070 0.85 NPC1 (0.48) LMNAKDM4ERAB9ANPC1GAA
SCHEMBL4293573 0.82 SMN1; SMN2 (0.37) BTKGRIN2BUSP30KDM4EPOLB
SCHEMBL4287941 0.82 KDM4E (0.47) KDM4ETDP1GAAALDH1A1
SCHEMBL4297009 0.82 KDM4E (0.47) KDM4ETDP1ALDH1A1

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 BTK 643/4885LMNA 1785/4885GRIN1 3567/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT BTK 643/4885LMNA 1785/4885GRIN1 3567/4885

“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.