SCHEMBL1779650

SCHEMBL1779650

CN1CCC2(CC1)CCN(c1ccc(Cl)c(Cl)c1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.53
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
ALOX12 P18054 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTR1A P08908 1/20 0.47
ALDH1A1 P00352 2/20 0.47
BCL2 P10415 1/20 0.47
BID P55957 1/20 0.47
RAD51 Q06609 1/20 0.47
BCL2L1 Q07817 1/20 0.47
BCL2A1 Q16548 1/20 0.47
BCL2L2 Q92843 1/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRM1 P35372 1/20 0.47
HIF1A Q16665 1/20 0.45
AR P10275 4/20 0.45

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
SCHEMBL423400 0.84 MAPT (0.65) ADRB1MAPTSMN1; SMN2LMNAALOX12
SCHEMBL1779655 0.82 ADRB1 (0.70) ADRB1MAPTSMN1; SMN2LMNAALOX12
SCHEMBL26418600 0.75 ADRB1 (0.50) ADRB1MAPTALOX12ALDH1A1MEN1
SCHEMBL24123984 0.75 ALDH1A1 (0.46) MAPTSMN1; SMN2LMNAALOX12L3MBTL1
SCHEMBL17543888 0.75 ADRB1 (0.54) ADRB1MAPTSMN1; SMN2LMNAALOX12
SCHEMBL23126674 0.74 GAA (0.55) ADRB1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL9830834 0.74 ADRB1 (0.68) ADRB1MAPTSMN1; SMN2LMNAALOX12
SCHEMBL12006357 0.74 MAPT (0.69) MAPTSMN1; SMN2LMNAALOX12L3MBTL1
SCHEMBL14996510 0.74 TP53 (0.54) MAPTSMN1; SMN2LMNAHTR1AALDH1A1
SCHEMBL4169525 0.73 LGMN (0.54) ADRB1MAPTSMN1; SMN2LMNAALOX12

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-7943630-B2 3,9-diaza-spiro[5.5]undecane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-05-17 US claimed
EP-1917264-B1 NOVEL 3,9-DIAZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-11-17 EP claimed
US-20090111841-A1 Novel 3,9-Diaza-Spiro[5,5]Undecane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors ANIONA APS (DK) 2009-04-30 US claimed
EP-1917264-A1 NOVEL 3,9-DIAZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-05-07 EP claimed
WO-2007000463-A1 NOVEL 3,9-DIAZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-01-04 WO claimed
US-7943630-B2 3,9-diaza-spiro[5.5]undecane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-05-17 US disclosed
EP-1917264-B1 NOVEL 3,9-DIAZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-11-17 EP disclosed
US-20090111841-A1 Novel 3,9-Diaza-Spiro[5,5]Undecane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors ANIONA APS (DK) 2009-04-30 US disclosed
EP-1917264-A1 NOVEL 3,9-DIAZA-SPIRO[5.5]UNDECANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-05-07 EP disclosed
WO-2007000463-A1 NOVEL 3,9-DIAZA-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-20090111841-A1 Novel 3,9-Diaza-Spiro[5,5]Undecane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC6A3 ADRB1 38/4885MAPT 1180/4885SMN1; SMN2 1853/4885

“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.