SCHEMBL3393183

SCHEMBL3393183

CC1CN(C(=O)C(F)(F)F)CCN1C(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CPS1 P31327 1/20 0.36

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
SCHEMBL28719848 0.82 SETD7 (0.47) PDK1PDK2PDK3PDK4
SCHEMBL3392879 0.82 SETD7 (0.47) PDK1PDK2PDK3PDK4
SCHEMBL28719794 0.82 SETD7 (0.47) PDK1PDK2PDK3PDK4
SCHEMBL3395559 0.82 SETD7 (0.47) PDK1PDK2PDK3PDK4
SCHEMBL13130609 0.82 TSHR (0.43) PDK1PDK2PDK3PDK4TSHR
SCHEMBL10196629 0.81 TSHR (0.34) PDK1PDK2PDK3PDK4LMNA
SCHEMBL6906792 0.77 PDK1 (0.48) PDK1PDK2PDK3PDK4LMNA
SCHEMBL27115233 0.76 PDK2 (0.37) PDK2
SCHEMBL27326098 0.76 PDK2 (0.37) PDK2
SCHEMBL27326097 0.76 PDK2 (0.37) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249411-A1 Stereoselective Alkylation of Chiral 2-Methly-4 Protected Piperazines WU WENXUE 2010-09-30 US disclosed
US-7745626-B2 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines SCHERING CORPORATION (US) 2010-06-29 US disclosed
EP-2141143-A2 Stereoselective alkylation of chiral 2-methyl-4 protected piperazines SCHERING CORPORATION (US) 2010-01-06 EP disclosed
EP-2141153-A2 Stereoselective alkylation of chiral 2-methyl-4 protected piperazines SCHERING CORPORATION (US) 2010-01-06 EP disclosed
EP-1490346-B1 STEREOSELECTIVE ALKYLATION OF CHIRAL 2-METHYL-4-PROTECTED PIPERAZINES SCHERING CORP (US) 2009-12-02 EP disclosed
US-20050171120-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines WU WENXUE (US) 2005-08-04 US disclosed
US-6872826-B2 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines SCHERING CORPORATION (US) 2005-03-29 US disclosed
US-20030208074-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines SCHERING CORPORATION 2003-11-06 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 (3 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-20050171120-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines AZI2, ALKBH5, DNMT1 PDK1 4138/4885PDK2 2863/4885PDK3 3460/4885
US-20030208074-A1 Stereoselective alkylation of chiral 2-methyl-4-protected piperazines AZI2, DNMT1, ALKBH5 PDK1 4010/4885PDK2 2784/4885PDK3 3357/4885
US-20100249411-A1 Stereoselective Alkylation of Chiral 2-Methly-4 Protected Piperazines ALKBH5, AZI2, PNMT PDK1 4262/4885PDK2 3049/4885PDK3 3555/4885

“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.