SCHEMBL2022644

SCHEMBL2022644

CCS(=O)(=O)c1ccc(/C(=C\[C@H]2C[C@@H](F)[C@@H](F)C2)C(=O)Nc2cnc(C)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.43
NOTUM Q6P988 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL2022645 1.00 GCK (0.43) GCKNOTUMKCNH2SMN1; SMN2KDM4E
SCHEMBL2022862 0.90 GCK (0.48) GCKKCNH2
SCHEMBL2022861 0.90 GCK (0.48) GCKKCNH2
SCHEMBL2018852 0.89 GCK (0.38) GCKKCNH2
SCHEMBL2018854 0.89 GCK (0.38) GCKKCNH2
SCHEMBL2028666 0.87 GCK (0.46) GCKKCNH2
SCHEMBL2028668 0.87 GCK (0.46) GCKKCNH2
SCHEMBL2027199 0.83 GCK (0.45) GCKKCNH2SMN1; SMN2
SCHEMBL2027196 0.83 GCK (0.45) GCKKCNH2SMN1; SMN2
SCHEMBL2021529 0.82 NPC1 (0.38) GCKSMN1; SMN2KDM4E

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
EP-2275414-B1 CYCLOPENTYLACRYLAMIDE DERIVATIVE KYORIN SEIYAKU KK (JP) 2015-06-10 EP claimed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US claimed
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 GCK 188/4885NOTUM 226/4885KCNH2 1011/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 GCK 188/4885NOTUM 226/4885KCNH2 1011/4885

“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.