SCHEMBL4309338

SCHEMBL4309338

CC(C)C(=O)c1ccc(F)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.52
KDM4E B2RXH2 4/20 0.52
DBH P09172 1/20 0.52
RECQL P46063 1/20 0.52
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
SLC6A2 P23975 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CHRND Q07001 1/20 0.45
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL9423224 0.86 CHRNA1 (0.43) GAAKDM4EDBHRECQLCHRNA1
SCHEMBL3860137 0.82 CHRNA1 (0.62) GAAKDM4EDBHRECQLCHRNA1
SCHEMBL13410609 0.82 GAA (0.57) GAAKDM4EDBHRECQLSLC6A3
SCHEMBL12780290 0.79 GAA (0.53) GAAKDM4EDBHRECQLCHRNA1
SCHEMBL27599090 0.79 GAA (0.69) GAAKDM4EDBHRECQLMAPT
SCHEMBL935912 0.79 PRKCI (0.56) GAAKDM4ECES2CES1MAPT
SCHEMBL8013848 0.78 GAA (0.52) GAAKDM4ECES2CES1MAPT
SCHEMBL12438168 0.78 KDM4E (0.52) GAAKDM4EDBHRECQLCHRNA1
SCHEMBL11666862 0.78 GAA (0.52) GAAKDM4EDBHRECQLCHRNA1
SCHEMBL8879525 0.77 CA12 (0.56) GAAKDM4EMAPTHDAC1HDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1939204-B3 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2022-08-24 EP disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-1939204-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-1939204-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 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 (1 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 GAA 2064/4885KDM4E 930/4885DBH 739/4885

“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.