SCHEMBL3389117

SCHEMBL3389117

COc1ccc2ncc(N3CC4CCCC(C3)N4C)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 3/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
F2 P00734 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
ACVR1 Q04771 1/20 0.41
EGFR P00533 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
MEN1 O00255 3/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL3389205 0.91 HPGDS (0.45) KMT2AMAPTGAAPDGFRBPDGFRA
SCHEMBL3128330 0.83 HTR1A (0.49) KMT2AMAPTGAAKDM2B
SCHEMBL3386071 0.83 HTR3A (0.39) BRAFHTR3APRKACAGSK3BROCK1
SCHEMBL3135941 0.81 HTR1A (0.53) KMT2AMAPTGAAKDM2B
SCHEMBL3384597 0.81 HTR3A (0.58) HTR3A
SCHEMBL3578741 0.78 CHRNB2 (0.54)
SCHEMBL3382643 0.78 HRH3 (0.62) KMT2AHRH3MEN1CASP1CASP7
SCHEMBL3542933 0.78 HTR1A (0.51) HRH3KDM2BBRAF
SCHEMBL3387776 0.76 ESR2 (0.40) KMT2AGAAALDH1A1PDGFRBPDGFRA
SCHEMBL3384437 0.74 HRH3 (0.51) ALDH1A1HPGDHRH3KDM4EKDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687517-B2 3,9-Diazabicyclo [3.3.1] nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-03-30 US claimed
US-20080306078-A1 3,9-Diazabicyclo [3.3.1] Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors DANPET AB (SE) 2008-12-11 US claimed
EP-1984366-A1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-10-29 EP claimed
WO-2007090887-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
EP-1984366-B1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-12-15 EP disclosed
US-7687517-B2 3,9-Diazabicyclo [3.3.1] nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-03-30 US disclosed
US-20080306078-A1 3,9-Diazabicyclo [3.3.1] Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors DANPET AB (SE) 2008-12-11 US disclosed
EP-1984366-A1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-10-29 EP disclosed
WO-2007090887-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 (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-20080306078-A1 3,9-Diazabicyclo [3.3.1] Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 KMT2A 2224/4885MAPT 1319/4885GAA 377/4885

“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.