SCHEMBL2021529

SCHEMBL2021529

CCS(=O)(=O)c1ccc(/C(=C\C2CC(F)C(F)C2)C(=O)Nc2ccn(C)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GCK P35557 11/20 0.36
IDH2 P48735 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CTSK P43235 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
SCHEMBL2021526 1.00 NPC1 (0.38) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL2020451 0.90 GCK (0.45) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL2020448 0.90 GCK (0.45) NPC1RAB9AMAPK1KDM4EALDH1A1
SCHEMBL2026180 0.89 GCK (0.37) NPC1RAB9AMAPK1GCK
SCHEMBL2026182 0.89 GCK (0.37) NPC1RAB9AMAPK1GCK
SCHEMBL2023685 0.88 GCK (0.42) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL2028199 0.88 GCK (0.42) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL2018441 0.82 GCK (0.45) NPC1SMN1; SMN2GCKIDH2
SCHEMBL2018439 0.82 GCK (0.45) NPC1SMN1; SMN2GCKIDH2
SCHEMBL2022645 0.82 GCK (0.43) KDM4ESMN1; SMN2GCK

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 NPC1 237/4885RAB9A 2029/4885MAPK1 929/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 NPC1 237/4885RAB9A 2029/4885MAPK1 929/4885

“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.