SCHEMBL20445352

SCHEMBL20445352

c1ccc2c(c1)OC[C@H](CN1CCN(C3CCCCCCC3)CC1)O2

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.72
ADRA2B P18089 2/20 0.72
ADRA2C P18825 2/20 0.72
ADRA1D P25100 2/20 0.72
ADRA1A P35348 2/20 0.72
ADRA1B P35368 2/20 0.72
SCN1A P35498 1/20 0.72
SCN2A Q99250 1/20 0.72
SCN3A Q9NY46 1/20 0.72
HTR1A P08908 2/20 0.62
SIGMAR1 Q99720 2/20 0.62
DRD2 P14416 2/20 0.60
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL20445401 1.00 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL20445466 1.00 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL20445446 1.00 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL20445395 1.00 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11854599 0.86 ADRA2A (0.84) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL29404377 0.84 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL83631 0.84 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL31464193 0.84 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL21014258 0.84 ADRA1D (0.71) ADRA2AADRA2BADRA2CADRA1DADRA1A
Piperoxan SCHEMBL12503311 0.83 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ADRA2A 13/4885ADRA2B 39/4885ADRA2C 3/4885
US-10774074-B2 2-(1-heteroarylpiperazin-4-yl)methyl-1,4-benzodioxane derivatives as alpha2C antagonists OPRM1, HTR2C, ADRA2C ADRA2A 13/4885ADRA2B 39/4885ADRA2C 3/4885
US-20190292170-A9 2-(1-HETEROARYLPIPERAZIN-4-YL)METHYL-1,4-BENZODIOXANE DERIVATIVES AS ALPHA2C ANTAGONISTS OPRM1, HTR2C, ADRA2C ADRA2A 13/4885ADRA2B 39/4885ADRA2C 3/4885

“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.