SCHEMBL13705100

SCHEMBL13705100

CC(C)(C)OC(=O)N1CCN[C@H](Cn2ccc(C(F)(F)F)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
SCN9A Q15858 6/20 0.38
SCN10A Q9Y5Y9 2/20 0.37
P2RX7 Q99572 2/20 0.36
MAPK1 P28482 1/20 0.36
SPR P35270 3/20 0.36
GPR119 Q8TDV5 4/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL4284259 0.85 SCN9A (0.38) KDM4ESCN9ASCN10A
SCHEMBL8115428 0.78 MAPK1 (0.40) MAPK1SPRGPR119JAK2JAK1
SCHEMBL13705092 0.76 PREP (0.36) MAPK1SPRGPR119
SCHEMBL3130493 0.75 GPR119 (0.40) MAPK1GPR119JAK2JAK1
SCHEMBL13705098 0.75 GPR119 (0.40) MAPK1GPR119JAK2JAK1
SCHEMBL13705108 0.75 IDH1 (0.46) SCN9ASCN10AMAPK1GPR119
SCHEMBL26631302 0.75 GPR119 (0.39) KDM4EGPR119JAK2JAK1
SCHEMBL16696670 0.74 NR1H2 (0.40) KDM4EMAPK1
SCHEMBL16696671 0.74 NR1H2 (0.40) KDM4EMAPK1
SCHEMBL13705097 0.74 IDO1 (0.38) KDM4EMAPK1GPR119

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 4 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-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

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 KDM4E 760/4885SCN9A 1866/4885SCN10A 2828/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885SCN9A 1866/4885SCN10A 2828/4885

“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.