SCHEMBL104960

SCHEMBL104960

CC(C)(C)OC(=O)N(CC1CCOCC1)c1cc(OC2CCCCC2)nn2c(I)cnc12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.41
GPR119 Q8TDV5 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL137816 0.89 TTK (0.45) TTK
SCHEMBL104909 0.87 TTK (0.36) TTK
SCHEMBL104290 0.87 TTK (0.30) TTK
SCHEMBL104174 0.85 CDK9 (0.33) TTKGPR119CNR1CNR2
SCHEMBL10282480 0.85 TTK (0.32) TTKGPR119CNR1CNR2
SCHEMBL105318 0.84 TTK (0.37) TTK
SCHEMBL104889 0.83 TTK (0.42) TTKCNR1CNR2
SCHEMBL104406 0.83 TTK (0.33) TTKCNR1CNR2
SCHEMBL105015 0.82 TTK (0.67) TTK
SCHEMBL12927947 0.81 TTK (0.46) TTKCNR2

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
EP-2460805-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION Oncotherapy Science, Inc. (JP) 2012-06-06 EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
WO-2011013729-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION オンコセラピー・サイエンス株式会社 (JP) 2011-02-03 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 (1 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 TTK 6/4885GPR119 171/4885CNR1 1153/4885

“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.