SCHEMBL5388332

SCHEMBL5388332

CC(C)(C)OC(=O)N1CCN(c2c(F)cc(F)cc2F)C(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 1/20 0.40
GPR119 Q8TDV5 4/20 0.39
USP30 Q70CQ3 3/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38

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
SCHEMBL5395741 0.85 HDAC6 (0.44) HDAC6DPP4GPR119HDAC1HDAC2
SCHEMBL5395678 0.84 SMN1; SMN2 (0.52) SMN1; SMN2GPR119SMARCA2SMARCA4PBRM1
SCHEMBL5384801 0.82 MEN1 (0.46) HDAC6SMN1; SMN2GPR119MEN1KMT2A
SCHEMBL20142045 0.82 MEN1 (0.46) HDAC6SMN1; SMN2GPR119MEN1KMT2A
SCHEMBL3804448 0.80 SMN1; SMN2 (0.46) HDAC6SMN1; SMN2GPR119SMARCA2SMARCA4
SCHEMBL5409066 0.78 TACR1 (0.43) HDAC6GPR119USP30JAK2JAK1
SCHEMBL21360375 0.78 GPR119 (0.55) GPR119USP30SMARCA2SMARCA4PBRM1
SCHEMBL8236255 0.78 GPR119 (0.55) GPR119USP30SMARCA2SMARCA4PBRM1
SCHEMBL5400644 0.78 TACR1 (0.56) HDAC6
SCHEMBL18488357 0.77 USP30 (0.52) HDAC6SMN1; SMN2DPP4GPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214680-B2 2-substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 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-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors SLC6A4, TPH1, HTR1D HDAC6 2149/4885SMN1; SMN2 3955/4885DPP4 597/4885

“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.