SCHEMBL2583960

SCHEMBL2583960

FC(F)(F)c1cc(OC2CCC3(CCNCC3)CC2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.41
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
RAF1 P04049 5/20 0.40
FFAR4 Q5NUL3 5/20 0.38
P2RX7 Q99572 1/20 0.37
BRAF P15056 2/20 0.36

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
SCHEMBL3117182 0.87 SLC6A4 (0.46) EPHX2SLC6A4SLC6A2SLC6A3RAF1
SCHEMBL2583028 0.84 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3FFAR4P2RX7
SCHEMBL2581539 0.83 FPR2 (0.43) SLC6A4SLC6A2SLC6A3FFAR4P2RX7
SCHEMBL2578242 0.82 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3FFAR4P2RX7
Trifluoroacetic Acid SCHEMBL2577921 0.81 FFAR4 (0.49) SLC6A4SLC6A2SLC6A3FFAR4P2RX7
SCHEMBL2582249 0.81 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3FFAR4P2RX7
SCHEMBL2585974 0.77 SLC6A4 (0.49) EPHX2SLC6A4SLC6A2SLC6A3
SCHEMBL31071550 0.76 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3P2RX7
SCHEMBL12175681 0.76 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3P2RX7
SCHEMBL3118849 0.76 EPHX2 (0.44) EPHX2SLC6A4SLC6A2SLC6A3RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049012-B2 3-aza-spiro[5.5]undecane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-11-01 US claimed
EP-1899303-B1 NOVEL 3-AZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-09-15 EP claimed
US-20090227613-A1 Novel 3-Aza-Spiro[5.5]Undecane Derivatives and Their Use As Monoamine Neurotransmitter Re-Uptake Inhibitors NEURO SEARCH A/S (DK) 2009-09-10 US claimed
EP-1899303-A1 NOVEL 3-AZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-03-19 EP claimed
WO-2007000465-A1 NOVEL 3-AZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-01-04 WO claimed
US-8049012-B2 3-aza-spiro[5.5]undecane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-11-01 US disclosed
EP-1899303-B1 NOVEL 3-AZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-09-15 EP disclosed
US-20090227613-A1 Novel 3-Aza-Spiro[5.5]Undecane Derivatives and Their Use As Monoamine Neurotransmitter Re-Uptake Inhibitors NEURO SEARCH A/S (DK) 2009-09-10 US disclosed
EP-1899303-A1 NOVEL 3-AZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-03-19 EP disclosed
WO-2007000465-A1 NOVEL 3-AZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-01-04 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 (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-20090227613-A1 Novel 3-Aza-Spiro[5.5]Undecane Derivatives and Their Use As Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC6A3 EPHX2 1264/4885SLC6A4 5/4885SLC6A2 2/4885

“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.