SCHEMBL2583028

SCHEMBL2583028

Clc1ccc(OC2CCC3(CCNCC3)CC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.58
SLC6A3 Q01959 6/20 0.58
SLC6A2 P23975 4/20 0.58
FFAR4 Q5NUL3 5/20 0.45
P2RX7 Q99572 1/20 0.41
FPR2 P25090 2/20 0.40
PROKR1 Q8TCW9 2/20 0.40
HRH1 P35367 2/20 0.39
IKBKB O14920 1/20 0.39
CCR3 P51677 1/20 0.38
HPGD P15428 1/20 0.38
ROCK2 O75116 1/20 0.37
PRKACA P17612 1/20 0.37
PRKCD Q05655 1/20 0.37
ROCK1 Q13464 1/20 0.37
PRKG1 Q13976 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
CDC42BPA Q5VT25 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
SCHEMBL2578242 0.89 SLC6A2 (0.44) SLC6A4SLC6A3SLC6A2FFAR4P2RX7
Trifluoroacetic Acid SCHEMBL2577921 0.88 FFAR4 (0.49) SLC6A4SLC6A3SLC6A2FFAR4P2RX7
SCHEMBL2582249 0.87 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2FFAR4P2RX7
SCHEMBL2581539 0.87 FPR2 (0.43) SLC6A4SLC6A3SLC6A2FFAR4P2RX7
SCHEMBL31128128 0.84 SLC6A2 (0.69) SLC6A4SLC6A3SLC6A2P2RX7FPR2
SCHEMBL942585 0.84 SLC6A2 (0.69) SLC6A4SLC6A3SLC6A2P2RX7FPR2
SCHEMBL2583960 0.84 EPHX2 (0.41) SLC6A4SLC6A3SLC6A2FFAR4P2RX7
SCHEMBL2585974 0.83 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2HRH1
Hydrochloric Acid SCHEMBL4107468 0.83 SLC6A2 (0.67) SLC6A4SLC6A3SLC6A2P2RX7FPR2
Hydrochloric Acid SCHEMBL31381194 0.83 SLC6A2 (0.67) SLC6A4SLC6A3SLC6A2P2RX7FPR2

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 SLC6A4 5/4885SLC6A3 3/4885SLC6A2 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.