SCHEMBL1686077

SCHEMBL1686077

CC(C)(C)OC(=O)N1CCN(c2cnc(I)c(-c3ccccc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.56
SKP1 P63208 2/20 0.56
SKP2 Q13309 2/20 0.56
PIK3CA P42336 1/20 0.52
KIT P10721 1/20 0.51
MET P08581 1/20 0.50
GPR119 Q8TDV5 2/20 0.49
PDK2 Q15119 1/20 0.48
GBA1 P04062 1/20 0.47
ALK Q9UM73 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
SCHEMBL1686097 0.85 CKS1B (0.54) CKS1BSKP1SKP2PIK3CAKIT
SCHEMBL27818823 0.84 SLC6A7 (0.42) CKS1BSKP1SKP2METMAPT
SCHEMBL3060483 0.80 CKS1B (0.60) CKS1BSKP1SKP2PIK3CAKIT
SCHEMBL1686081 0.80 CKS1B (0.57) CKS1BSKP1SKP2PIK3CAKIT
SCHEMBL4054998 0.77 AKR1C3 (0.61) CKS1BSKP1SKP2PIK3CAMET
SCHEMBL31254486 0.77 AKR1C3 (0.61) CKS1BSKP1SKP2PIK3CAMET
SCHEMBL5542227 0.77 GPR119 (0.65) CKS1BSKP1SKP2GPR119PDK2
SCHEMBL1458887 0.77 GPR119 (0.76) CKS1BSKP1SKP2GPR119PDK2
SCHEMBL31328829 0.77 GPR119 (0.59) CKS1BSKP1SKP2METGPR119
SCHEMBL31329004 0.77 GPR119 (0.59) CKS1BSKP1SKP2METGPR119

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.