SCHEMBL624675

SCHEMBL624675

N#CC1(c2ccccc2OC(F)(F)F)CCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
BACE1 P56817 1/20 0.34
HSD11B1 P28845 1/20 0.33
ABL1 P00519 1/20 0.32
P2RY1 P47900 1/20 0.32
SLC22A12 Q96S37 3/20 0.32
GAA P10253 1/20 0.32
SLC6A9 P48067 1/20 0.32
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
CTSS P25774 1/20 0.31
DRD2 P14416 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL8188193 0.95 BDKRB1 (0.43) BDKRB1MEN1KMT2AHDAC6BACE1
SCHEMBL29531771 0.87 BDKRB1 (0.42) BDKRB1MEN1KMT2AHDAC6BACE1
SCHEMBL23325192 0.87 BDKRB1 (0.42) BDKRB1MEN1KMT2AHDAC6BACE1
SCHEMBL2288483 0.85 BDKRB1 (0.43) BDKRB1MEN1KMT2AHDAC6BACE1
SCHEMBL451300 0.79 SIGMAR1 (0.45) MEN1KMT2A
SCHEMBL8014907 0.76 BDKRB1 (0.46) BDKRB1MEN1KMT2AHDAC6BACE1
SCHEMBL18769575 0.76 BACE1 (0.38) HDAC6BACE1HSD11B1
SCHEMBL625570 0.76 HDAC4 (0.45) BDKRB1MEN1KMT2AHDAC6HSD11B1
SCHEMBL8014903 0.75 BDKRB1 (0.51) BDKRB1MEN1KMT2AGAA
SCHEMBL625354 0.74 NPC1 (0.44) BDKRB1MEN1KMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
US-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-09-27 US disclosed
EP-3362445-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-08-22 EP disclosed
WO-2017065473-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-20 WO disclosed
WO-2017065473-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-20 WO disclosed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 BDKRB1 72/4885MEN1 4188/4885KMT2A 4568/4885
US-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC6, HDAC2 BDKRB1 4593/4885MEN1 3928/4885KMT2A 65/4885

“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.