SCHEMBL18282666

SCHEMBL18282666

CC1CCN(c2nsnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.40
TLR9 Q9NR96 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
GBA1 P04062 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
MAP4K4 O95819 1/20 0.37
LIPE Q05469 1/20 0.37
KIT P10721 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
SCHEMBL18282531 0.79 MAPK1 (0.41) GPR119GBA1MAPTALDH1A1LMNA
SCHEMBL18282618 0.79 GBA1 (0.41) TLR9OPRM1OPRD1OGFRL1GBA1
SCHEMBL20423540 0.79 GBA1 (0.39) GPR119TLR9OPRM1OPRD1OGFRL1
SCHEMBL20423972 0.78 USP2 (0.42) GBA1MAPTALDH1A1LMNAMAP4K4
SCHEMBL18282608 0.78 SMARCA2 (0.49) GPR119TLR9GBA1MAPTALDH1A1
SCHEMBL18282640 0.77 MAPT (0.42) TLR9OPRM1OPRD1OGFRL1GBA1
SCHEMBL2384235 0.76 POLB (0.48) GPR119TLR9GBA1MAPTALDH1A1
SCHEMBL18282671 0.74 KIT (0.46) GPR119TLR9OPRM1OPRD1OGFRL1
SCHEMBL18282513 0.74 GBA1 (0.43) GPR119TLR9OPRM1OPRD1OGFRL1
SCHEMBL18282583 0.73 KIT (0.43) GPR119TLR9GBA1MAPTALDH1A1

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 1098/4885TLR9 4304/4885OPRM1 1/4885
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists OPRM1, HTR2C, ADRA2C GPR119 1098/4885TLR9 4304/4885OPRM1 1/4885
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C GPR119 1098/4885TLR9 4304/4885OPRM1 1/4885

“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.