SCHEMBL950313

SCHEMBL950313

Cc1nc(C)n2c1CN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.47
TP53 P04637 1/20 0.45
GPR119 Q8TDV5 9/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
FPR2 P25090 1/20 0.42
HCAR1 Q9BXC0 1/20 0.41
USP30 Q70CQ3 2/20 0.40
HPGD P15428 1/20 0.40
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL3452128 0.79 F10 (0.45) F10
SCHEMBL3448662 0.78 F10 (0.45) F10
SCHEMBL947287 0.75 GPR119 (0.53) TP53GPR119KDM4EMAPTTHRB
SCHEMBL950681 0.74 HCAR1 (0.46) TP53GPR119KDM4EMAPTTHRB
SCHEMBL948092 0.73 TP53 (0.44) F10TP53GPR119KDM4EMAPT
SCHEMBL947633 0.73 F10 (0.50) F10TP53GPR119KDM4EMAPT
SCHEMBL949939 0.73 GPR119 (0.44) TP53GPR119KDM4EMAPTTHRB
SCHEMBL14651344 0.72 TP53 (0.52) TP53GPR119KDM4EMAPTTHRB
SCHEMBL948889 0.72 TP53 (0.43) F10TP53GPR119KDM4EMAPT
SCHEMBL948876 0.72 HCAR1 (0.41) TP53GPR119KDM4EMAPTTHRB

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 F10 545/4885TP53 4661/4885GPR119 1327/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 F10 490/4885TP53 4591/4885GPR119 1118/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 F10 22/4885TP53 2996/4885GPR119 3109/4885

“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.