SCHEMBL22218490

SCHEMBL22218490

CCN1CCN(C(=O)N(Cc2ccc(C(=O)OC)cc2F)c2ccc(OC)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
MTNR1B P49286 2/20 0.41
CHRM1 P11229 1/20 0.40
BDKRB1 P46663 1/20 0.40
TNKS O95271 3/20 0.39
TNKS2 Q9H2K2 3/20 0.39
DRD3 P35462 3/20 0.39
DRD2 P14416 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL22218148 0.92 ALDH1A1 (0.45) ALDH1A1KDM4EBDKRB1GAAHPGD
SCHEMBL22218042 0.91 TNKS (0.40) ALDH1A1LMNAMTNR1BTNKSTNKS2
SCHEMBL20236092 0.91 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAMTNR1BCHRM1
SCHEMBL22217785 0.91 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMTNR1BCHRM1
SCHEMBL22217536 0.90 ALDH1A1 (0.44) ALDH1A1KDM4ELMNACHRM1BDKRB1
SCHEMBL22217619 0.90 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAMTNR1BBDKRB1
SCHEMBL20236487 0.89 BDKRB1 (0.39) ALDH1A1BDKRB1TNKSTNKS2
SCHEMBL22217729 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EMTNR1BTNKSTNKS2
SCHEMBL28634690 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EMTNR1BTNKSTNKS2
SCHEMBL22217730 0.88 HTR2A (0.38) ALDH1A1KDM4ELMNAMTNR1BTNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331864-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2021-11-03 EP disclosed
CN-108137518-B 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2021-08-31 CN disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 US disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 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 (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-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC1, HDAC5, HDAC2 ALDH1A1 152/4885KDM4E 1285/4885LMNA 1141/4885

“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.