SCHEMBL20423837

SCHEMBL20423837

CC(C)(C)OC(=O)N1CCN(c2nsnc2Nc2cccnc2OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
GPR119 Q8TDV5 3/20 0.47
TLR9 Q9NR96 4/20 0.45
TLR7 Q9NYK1 2/20 0.45
KIT P10721 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC2A1 P11166 1/20 0.42
GBA1 P04062 2/20 0.42
CCNK O75909 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
CDK9 P50750 1/20 0.41
CDK6 Q00534 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL18282549 0.88 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL2384061 0.81 GPR119 (0.63) ACHEGPR119TLR9TLR7KIT
Trifluoroacetic Acid SCHEMBL18282518 0.80 ALDH1A1 (0.43) ALDH1A1ALOX15TSHRMAPK1HSD17B10
SCHEMBL18282631 0.80 JAK2 (0.49) ACHEGPR119KITGBA1POLB
SCHEMBL18282634 0.79 GPR119 (0.47) ACHEGPR119KITTSHRGBA1
SCHEMBL2385264 0.78 GPR119 (0.59) ACHEGPR119TLR9TLR7ALDH1A1
SCHEMBL2088315 0.78 ACHE (0.52) ACHEGPR119TLR9TLR7KIT
SCHEMBL22587512 0.74 POLB (0.52) ACHEGPR119KITTSHRGBA1
SCHEMBL2385596 0.74 GPR119 (0.53) ACHEGPR119TLR9KITGBA1
Hydrochloric Acid SCHEMBL20423896 0.73 ADRA2C (0.54) ALDH1A1ALOX15TSHRMAPK1HSD17B10

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 ACHE 726/4885GPR119 1098/4885TLR9 4304/4885
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists OPRM1, HTR2C, ADRA2C ACHE 726/4885GPR119 1098/4885TLR9 4304/4885
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C ACHE 726/4885GPR119 1098/4885TLR9 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.