SCHEMBL1686099

SCHEMBL1686099

CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3)c(C(F)(F)F)nc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.52
SKP1 P63208 2/20 0.52
SKP2 Q13309 2/20 0.52
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
KIT P10721 1/20 0.47
BACE1 P56817 4/20 0.47
PDK2 Q15119 1/20 0.46
GBA1 P04062 2/20 0.46
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
ACHE P22303 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
HDAC4 P56524 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
PTPN11 Q06124 1/20 0.42
PIK3CA P42336 1/20 0.42

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
SCHEMBL1686153 0.90 CKS1B (0.52) CKS1BSKP1SKP2SMARCA2SMARCA4
SCHEMBL1686109 0.88 CKS1B (0.50) CKS1BSKP1SKP2SMARCA2SMARCA4
SCHEMBL1686128 0.86 CKS1B (0.48) CKS1BSKP1SKP2SMARCA2SMARCA4
SCHEMBL1686116 0.84 CKS1B (0.47) CKS1BSKP1SKP2SMARCA2SMARCA4
SCHEMBL2958371 0.82 CKS1B (0.55) CKS1BSKP1SKP2SMARCA2SMARCA4
SCHEMBL1686097 0.81 CKS1B (0.54) CKS1BSKP1SKP2SMARCA2SMARCA4
SCHEMBL1686126 0.79 GRIA1 (0.44) CKS1BSKP1SKP2SMARCA2SMARCA4
SCHEMBL1686073 0.78 HTR6 (0.50) SMARCA2SMARCA4PBRM1
SCHEMBL1686112 0.77 GFER (0.43)
SCHEMBL20818663 0.77 CKS1B (0.58) CKS1BSKP1SKP2SMARCA2SMARCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307374-B1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-01-25 EP disclosed
EP-2307374-B1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-01-25 EP disclosed
US-8895562-B2 Piperazin-1-yl-trifluoromethyl-substituted-pyridines as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-8895562-B2 Piperazin-1-yl-trifluoromethyl-substituted-pyridines as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-8895562-B2 Piperazin-1-yl-trifluoromethyl-substituted-pyridines as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-20110130408-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAGE S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2011-06-02 US disclosed
US-20110130408-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAGE S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2011-06-02 US disclosed
US-20110130408-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAGE S.A., EDIFICIO JOHNSON & JOHNSON (ES) 2011-06-02 US disclosed
EP-2307374-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2011-04-13 EP disclosed
WO-2010012758-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-04 WO disclosed
WO-2010012758-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-04 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-20110130408-A1 PIPERAZIN-1-YL-TRIFLUOROMETHYL-SUBSTITUTED-PYRIDINES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS GRIN2C, DRD2, GRIN2A CKS1B 761/4885SKP1 241/4885SKP2 283/4885

“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.