SCHEMBL16698455

SCHEMBL16698455

Cn1ccc(N2CCN(C(=O)OC(C)(C)C)C2=O)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
GPR119 Q8TDV5 5/20 0.36
WEE1 P30291 1/20 0.34
BUB1 O43683 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
NR1H2 P55055 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAP4K4 O95819 1/20 0.34
RET P07949 1/20 0.34
USP30 Q70CQ3 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL19381743 0.82 NR1H2 (0.43) GPR119MAPTNR1H2MAP4K4RET
SCHEMBL3029736 0.77 SCN5A (0.44) SCN5ASCN9AGPR119WEE1BUB1
SCHEMBL23967052 0.76 SCN9A (0.48) SCN5ASCN9AGPR119WEE1BUB1
SCHEMBL6792353 0.76 SCN5A (0.45) SCN5ASCN9AGPR119WEE1KDM4E
SCHEMBL14019898 0.75 NPC1 (0.51) SCN5ASCN9AGPR119KDM4EKDM1A
SCHEMBL20956347 0.75 SCN5A (0.42) SCN5ASCN9AGPR119WEE1MAP4K4
SCHEMBL7378278 0.74 USP2 (0.46) SCN5ASCN9AGPR119KDM4EMAPT
SCHEMBL16709647 0.74 SCN5A (0.45) SCN5ASCN9AGPR119KDM4EMAPT
SCHEMBL31518415 0.74 CKS1B (0.53) GPR119MAPTMAP4K4RETCKS1B
SCHEMBL16699290 0.74 CRHR1 (0.40) SCN9AKDM4E

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
EP-3066094-B1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-08 EP disclosed
US-9890145-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-13 US disclosed
US-20160311811-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-27 US disclosed
EP-3066094-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-09-14 EP disclosed
US-9321757-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-26 US disclosed
WO-2015068856-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 WO disclosed
US-20150133451-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 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-20160311811-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 SCN5A 1995/4885SCN9A 3417/4885GPR119 2297/4885
US-20150133451-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 SCN5A 1995/4885SCN9A 3417/4885GPR119 2297/4885

“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.