SCHEMBL3138982

SCHEMBL3138982

CN1C2CCCC1CN(c1ccc(F)c(Cl)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACACB O00763 2/20 0.40
BRD9 Q9H8M2 2/20 0.40
PGR P06401 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
NPY5R Q15761 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 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
SCHEMBL3135585 0.88 PDE4B (0.37)
SCHEMBL3138665 0.86 NOTUM (0.46) KMT2AMEN1MAPTALOX12SIGMAR1
SCHEMBL3143109 0.84 MAPT (0.47) ACACBKMT2AMEN1POLBMAPT
SCHEMBL3135365 0.81 KMT2A (0.42) KMT2ADRD3SIGMAR1
SCHEMBL6620647 0.80 NOTUM (0.48) KMT2AMEN1MAPTALOX12
SCHEMBL5832346 0.78 NOTUM (0.51) KMT2AMEN1MAPTALOX12
SCHEMBL3143697 0.78 CHRNB2 (0.47) CYP1A2CYP2D6CYP2C19PGRKMT2A
SCHEMBL6618954 0.74 CHRM1 (0.46) CYP1A2CYP2D6CYP2C19KMT2AMEN1
SCHEMBL23843625 0.72 ABCG2 (0.48) KMT2AMEN1GAAMAPTALOX12
SCHEMBL3579509 0.72 CHRNB2 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071598-B2 3,9-diazabicyclo[3.3.1]nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-12-06 US claimed
US-20100160333-A1 NOVEL 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2010-06-24 US claimed
US-20090036456-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2009-02-05 US claimed
EP-1984365-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-10-29 EP claimed
WO-2007090886-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-08-16 WO claimed
US-8071598-B2 3,9-diazabicyclo[3.3.1]nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-12-06 US disclosed
US-20100160333-A1 NOVEL 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2010-06-24 US disclosed
US-7700596-B2 3,9-diazabicyclo[3.3.1]nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-04-20 US disclosed
US-20090036456-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2009-02-05 US disclosed
EP-1984365-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-10-29 EP disclosed
WO-2007090886-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-08-16 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 (2 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-20100160333-A1 NOVEL 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A3, SLC6A2 CYP1A2 195/4885CYP2D6 97/4885CYP2C19 126/4885
US-20090036456-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 CYP1A2 241/4885CYP2D6 148/4885CYP2C19 139/4885

“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.