SCHEMBL20423972

SCHEMBL20423972

CC(C)(C)OC(=O)N1CCN(c2nsnc2N2CCOC2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LIPA P38571 8/20 0.40
PIK3CA P42336 1/20 0.39
GBA1 P04062 2/20 0.39
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAP4K4 O95819 1/20 0.38
KIT P10721 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37

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
SCHEMBL18282570 0.81 ALDH1A1 (0.40) LIPAALDH1A1LMNAMAPT
SCHEMBL20423540 0.80 GBA1 (0.39) USP2SMN1; SMN2LIPAGBA1CKS1B
SCHEMBL18282618 0.80 GBA1 (0.41) USP2SMN1; SMN2LIPAGBA1CKS1B
SCHEMBL18282531 0.80 MAPK1 (0.41) LIPAGBA1CKS1BSKP1SKP2
SCHEMBL18282608 0.79 SMARCA2 (0.49) USP2SMN1; SMN2LIPAGBA1CKS1B
SCHEMBL18282640 0.78 MAPT (0.42) SMN1; SMN2LIPAGBA1CKS1BSKP1
SCHEMBL18282666 0.78 GPR119 (0.40) GBA1ALDH1A1LMNAMAPTMAP4K4
SCHEMBL18282599 0.78 SMN1; SMN2 (0.39) USP2SMN1; SMN2GBA1CKS1BSKP1
SCHEMBL2384235 0.77 POLB (0.48) USP2SMN1; SMN2LIPAGBA1CKS1B
SCHEMBL18282513 0.75 GBA1 (0.43) USP2SMN1; SMN2LIPAGBA1CKS1B

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 5 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

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 USP2 2421/4885SMN1; SMN2 93/4885LIPA 4869/4885
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists OPRM1, HTR2C, ADRA2C USP2 2421/4885SMN1; SMN2 93/4885LIPA 4869/4885
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C USP2 2421/4885SMN1; SMN2 93/4885LIPA 4869/4885

“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.