SCHEMBL1686085

SCHEMBL1686085

CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3)c(C(F)(F)F)c(Cl)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.55
SKP1 P63208 2/20 0.55
SKP2 Q13309 2/20 0.55
KIT P10721 1/20 0.46
PDK2 Q15119 1/20 0.45
GBA1 P04062 1/20 0.44
POLB P06746 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
SUV39H2 Q9H5I1 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MET P08581 1/20 0.43
BACE1 P56817 3/20 0.43
PIK3CA P42336 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
ACHE P22303 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 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
SCHEMBL1686088 0.87 CKS1B (0.54) CKS1BSKP1SKP2KITPDK2
SCHEMBL1686083 0.86 MET (0.45) CKS1BSKP1SKP2GBA1MET
SCHEMBL1686108 0.85 CKS1B (0.52) CKS1BSKP1SKP2KITPDK2
SCHEMBL2954119 0.82 CKS1B (0.57) CKS1BSKP1SKP2KITPDK2
SCHEMBL1686094 0.82 CKS1B (0.44) CKS1BSKP1SKP2PDK2POLB
SCHEMBL2958371 0.81 CKS1B (0.55) CKS1BSKP1SKP2KITPDK2
SCHEMBL1931185 0.76 ADRB2 (0.53) CKS1BSKP1SKP2POLBSUV39H2
SCHEMBL30392318 0.76 CKS1B (0.53) CKS1BSKP1SKP2KITPDK2
SCHEMBL1686099 0.76 CKS1B (0.52) CKS1BSKP1SKP2KITPDK2
SCHEMBL1686153 0.76 CKS1B (0.52) CKS1BSKP1SKP2KITPDK2

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 10 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

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.