SCHEMBL18282643

SCHEMBL18282643

CN(C)C(=O)c1nsnc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
TLR9 Q9NR96 1/20 0.42
GBA1 P04062 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KIT P10721 1/20 0.39
LIPA P38571 3/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
NAMPT P43490 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38

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
SCHEMBL18282522 0.89 TLR9 (0.42) NR1H2NR1H3TLR9GBA1ALDH1A1
SCHEMBL18282513 0.86 GBA1 (0.43) TLR9GBA1ALDH1A1LMNAMAPT
SCHEMBL18282671 0.86 KIT (0.46) TLR9GBA1ALDH1A1LMNAMAPT
SCHEMBL18282583 0.85 KIT (0.43) TLR9GBA1ALDH1A1LMNAMAPT
SCHEMBL18282509 0.84 ALDH1A1 (0.43) NR1H2TLR9GBA1ALDH1A1LMNA
SCHEMBL18282568 0.82 KIT (0.41) GBA1ALDH1A1LMNAMAPTKIT
SCHEMBL18282555 0.81 LIPA (0.35) ALDH1A1LMNAMAPTLIPAOPRM1
SCHEMBL2384235 0.80 POLB (0.48) TLR9GBA1ALDH1A1LMNAMAPT
SCHEMBL18282608 0.79 SMARCA2 (0.49) TLR9GBA1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL18282653 0.76 KIT (0.39) TLR9GBA1ALDH1A1LMNAMAPT

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 NR1H2 430/4885NR1H3 664/4885TLR9 4304/4885
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists OPRM1, HTR2C, ADRA2C NR1H2 430/4885NR1H3 664/4885TLR9 4304/4885
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C NR1H2 430/4885NR1H3 664/4885TLR9 4304/4885

“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.