SCHEMBL3628873

SCHEMBL3628873

[O]C(=O)N1CCCC(F)(F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.42
DPP4 P27487 2/20 0.40
DPP7 Q9UHL4 1/20 0.40
RIPK1 Q13546 1/20 0.38
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
GRM5 P41594 3/20 0.34
CHRM4 P08173 1/20 0.33
SCN9A Q15858 1/20 0.33
NAMPT P43490 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
GRM4 Q14833 1/20 0.31
CYP3A4 P08684 3/20 0.31
SPR P35270 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL3628875 0.83 DPP4 (0.40) VNN1DPP4DPP7RIPK1HDAC3
SCHEMBL13163969 0.81 DPP4 (0.42) VNN1DPP4DPP7RIPK1HDAC3
SCHEMBL31143152 0.81 DPP4 (0.39) VNN1DPP4DPP7RIPK1HDAC3
SCHEMBL10279141 0.81 CYP3A4 (0.43) VNN1DPP4DPP7ALDH1A1CYP1A2
SCHEMBL24242889 0.79 ALDH1A1 (0.54) VNN1DPP4DPP7RIPK1GRM5
SCHEMBL2739928 0.78 DPP4 (0.47) VNN1DPP4DPP7RIPK1HDAC3
SCHEMBL2569116 0.77 DPP4 (0.39) VNN1DPP4DPP7RIPK1HDAC3
SCHEMBL3631130 0.76 CYP1A2 (0.38) VNN1DPP4DPP7RIPK1HDAC3
SCHEMBL17034777 0.76 RIPK1 (0.38) VNN1DPP4DPP7RIPK1HDAC3
SCHEMBL14617960 0.76 ALDH1A1 (0.44) VNN1DPP4DPP7SCN9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305116-A1 Compounds Comprising a Cyclobutoxy Group UCB PHARMA, S.A. (BE) 2010-12-02 US disclosed
EP-2146980-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma S.A. (BE) 2010-01-27 EP disclosed
WO-2008128919-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA S.A. (BE) 2008-10-30 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 (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-20100305116-A1 Compounds Comprising a Cyclobutoxy Group HMGCR, TECR, CYP4A11 VNN1 3339/4885DPP4 579/4885DPP7 958/4885

“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.