SCHEMBL948392

SCHEMBL948392

CC(C)(C)OC(=O)N1CCC(N2CCc3cncn3C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 1/20 0.44
GPR119 Q8TDV5 9/20 0.43
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
BACE1 P56817 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42
FPR2 P25090 1/20 0.41
USP30 Q70CQ3 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL948474 0.90 KDM4E (0.45) KDM4EMAPTTHRBTP53GPR119
SCHEMBL3449437 0.79 CCR1 (0.38)
SCHEMBL3450005 0.79
SCHEMBL994316 0.75 TP53 (0.51) KDM4EMAPTTHRBTP53GPR119
SCHEMBL948476 0.74 GPR119 (0.48) KDM4EMAPTTHRBTP53GPR119
SCHEMBL3450007 0.74 CCR1 (0.33)
SCHEMBL14651344 0.73 TP53 (0.52) KDM4EMAPTTHRBTP53GPR119
SCHEMBL947287 0.71 GPR119 (0.53) KDM4EMAPTTHRBTP53GPR119
SCHEMBL22999786 0.71 TP53 (0.47) KDM4EMAPTTHRBTP53GPR119
SCHEMBL22720469 0.71 TP53 (0.53) KDM4EMAPTTHRBTP53GPR119

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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 (3 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 KDM4E 1356/4885MAPT 4771/4885THRB 615/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 KDM4E 1558/4885MAPT 4800/4885THRB 604/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 KDM4E 1461/4885MAPT 4264/4885THRB 2541/4885

“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.