SCHEMBL18282634

SCHEMBL18282634

CC(C)(C)OC(=O)N1CCN(c2nsnc2Nc2ncccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.47
POLB P06746 1/20 0.46
KIT P10721 2/20 0.45
ACHE P22303 2/20 0.44
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
GBA1 P04062 2/20 0.42
DTYMK P23919 1/20 0.42
NAMPT P43490 1/20 0.42
CCNK O75909 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCND3 P30281 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42
MAPT P10636 2/20 0.41
PTPN11 Q06124 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL18282631 0.87 JAK2 (0.49) GPR119POLBKITACHECKS1B
SCHEMBL18282571 0.82 NAMPT (0.43) GPR119KITCKS1BSKP1SKP2
SCHEMBL18282621 0.82 JAK2 (0.49) GPR119POLBKITACHEGBA1
SCHEMBL18282543 0.82 FAAH (0.40)
SCHEMBL20423837 0.79 ACHE (0.47) GPR119POLBKITACHECKS1B
SCHEMBL31266515 0.77 JAK2 (0.62) GPR119POLBNAMPTCCNKCCNA2
SCHEMBL2384235 0.76 POLB (0.48) GPR119POLBKITCKS1BSKP1
SCHEMBL2385596 0.76 GPR119 (0.53) GPR119KITACHEGBA1NAMPT
SCHEMBL3436722 0.76 POLB (0.57) GPR119POLBKITACHECKS1B
SCHEMBL18282608 0.75 SMARCA2 (0.49) GPR119KITCKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709316-B 2- (1-heteroarylpiperazin-4-yl) methyl-1, 4-benzodioxane derivatives as alpha 2C antagonists 奥赖恩公司 2021-08-17 CN disclosed
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists ORION CORPORATION (FI) 2020-09-15 US disclosed
EP-3303327-B1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORP (FI) 2020-03-11 EP disclosed
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2019-09-26 US disclosed
US-20180215739-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2018-08-02 US disclosed
EP-3303327-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS Orion Corporation (FI) 2018-04-11 EP disclosed
WO-2016193551-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2016-12-08 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 (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-20180215739-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C GPR119 1098/4885POLB 3840/4885KIT 4109/4885
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists OPRM1, HTR2C, ADRA2C GPR119 1098/4885POLB 3840/4885KIT 4109/4885
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C GPR119 1098/4885POLB 3840/4885KIT 4109/4885

“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.