SCHEMBL947847

SCHEMBL947847

Cc1ncc2n1CCN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
GPR119 Q8TDV5 10/20 0.44
PIK3CD O00329 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
FPR2 P25090 1/20 0.41
HPGD P15428 1/20 0.41
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
BACE1 P56817 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL952015 0.79 TP53 (0.45) TP53GPR119HCAR1KDM4EMAPT
SCHEMBL947679 0.76 TP53 (0.53) TP53GPR119HCAR1KDM4EMAPT
SCHEMBL947192 0.75 TP53 (0.51) TP53GPR119HCAR1KDM4EMAPT
SCHEMBL948476 0.74 GPR119 (0.48) TP53GPR119HCAR1KDM4EMAPT
SCHEMBL27189242 0.72 TP53 (0.59) TP53GPR119KDM4EMAPTTHRB
SCHEMBL22720469 0.71 TP53 (0.53) TP53GPR119KDM4EMAPTTHRB
SCHEMBL948071 0.71 TP53 (0.51) TP53GPR119HCAR1KDM4EMAPT
SCHEMBL14651344 0.71 TP53 (0.52) TP53GPR119KDM4EMAPTTHRB
SCHEMBL22999841 0.70 TP53 (0.46) TP53GPR119HCAR1CTSDCTSE
SCHEMBL948139 0.70 GPR119 (0.53) TP53GPR119HCAR1KDM4EMAPT

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 7 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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 (4 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD TP53 3138/4885GPR119 2970/4885PIK3CD 2522/4885
US-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 TP53 4661/4885GPR119 1327/4885PIK3CD 3342/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 TP53 4591/4885GPR119 1118/4885PIK3CD 3125/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 TP53 2996/4885GPR119 3109/4885PIK3CD 4530/4885

“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.