SCHEMBL3273405

SCHEMBL3273405

OCCNC[C@H](O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.48
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AOC3 Q16853 1/20 0.43
LMNA P02545 1/20 0.42
ADRB3 P13945 4/20 0.41
ADRB1 P08588 3/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL4378196 0.89 ADRB2 (0.49) ADRB2KDM4EL3MBTL1AOC3LMNA
Hydrochloric Acid SCHEMBL4378868 0.88 ADRB2 (0.48) ADRB2KDM4EL3MBTL1AOC3LMNA
SCHEMBL5848458 0.84 AOC3 (0.46) ADRB2KDM4EL3MBTL1AOC3LMNA
SCHEMBL11742820 0.84 AOC3 (0.46) ADRB2KDM4EL3MBTL1AOC3LMNA
SCHEMBL30140834 0.81 ADRB2 (0.48) ADRB2KDM4EL3MBTL1LMNAADRB1
SCHEMBL6320068 0.81 KDM4E (0.73) ADRB2KDM4EL3MBTL1AOC3LMNA
SCHEMBL1626455 0.81 KDM4E (0.73) ADRB2KDM4EL3MBTL1AOC3LMNA
SCHEMBL12186418 0.81 ADRB3 (0.57) ADRB2LMNAADRB3ADRB1
SCHEMBL19352867 0.81 SMN1; SMN2 (0.50) ADRB2KDM4EL3MBTL1AOC3LMNA
SCHEMBL1690587 0.81 POLB (0.49) ADRB2LMNAADRB3ADRB1ALDH1A1

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-8273883-B2 Method for producing optically active 2-arylpiperazine derivative KANEKA CORPORATION (JP) 2012-09-25 US disclosed
US-20100087643-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE KANEKA CORPORATION (JP) 2010-04-08 US disclosed
EP-2119709-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE Kaneka Corporation (JP) 2009-11-18 EP 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 (1 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-20100087643-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE CYP2W1, AGPS, DHPS ADRB2 424/4885KDM4E 2876/4885L3MBTL1 4680/4885

“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.