SCHEMBL18282608

SCHEMBL18282608

CC(C)(C)OC(=O)N1CCN(c2nsnc2N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
MAP4K4 O95819 1/20 0.47
KIT P10721 2/20 0.44
GBA1 P04062 2/20 0.43
PTPN11 Q06124 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LIPA P38571 3/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
PDK2 Q15119 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
NAMPT P43490 1/20 0.40
TLR9 Q9NR96 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
SCHEMBL2384235 0.84 POLB (0.48) KITGBA1ALDH1A1LMNAMAPT
SCHEMBL18282583 0.84 KIT (0.43) SMARCA2SMARCA4PBRM1MAP4K4KIT
SCHEMBL18282671 0.82 KIT (0.46) KITGBA1ALDH1A1LMNAMAPT
SCHEMBL18282513 0.82 GBA1 (0.43) KITGBA1ALDH1A1LMNAMAPT
SCHEMBL18282571 0.80 NAMPT (0.43) KITGBA1PTPN11ALDH1A1LMNA
SCHEMBL2385404 0.80 MEN1 (0.50) KITGBA1ALDH1A1LMNAMAPT
SCHEMBL18282509 0.80 ALDH1A1 (0.43) KITGBA1ALDH1A1LMNAMAPT
SCHEMBL20423540 0.80 GBA1 (0.39) SMARCA2SMARCA4PBRM1MAP4K4KIT
SCHEMBL18282531 0.80 MAPK1 (0.41) SMARCA2SMARCA4PBRM1MAP4K4KIT
SCHEMBL18282618 0.80 GBA1 (0.41) SMARCA2SMARCA4PBRM1MAP4K4KIT

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 12 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
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-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
US-20180215739-A1 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2018-08-02 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
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 SMARCA2 1843/4885SMARCA4 2831/4885PBRM1 672/4885
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists OPRM1, HTR2C, ADRA2C SMARCA2 1843/4885SMARCA4 2831/4885PBRM1 672/4885
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C SMARCA2 1843/4885SMARCA4 2831/4885PBRM1 672/4885

“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.