SCHEMBL3384437

SCHEMBL3384437

COc1ccc2ccc(N3CC4CCCC(C3)N4C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
PDE10A Q9Y233 12/20 0.47
ACACB O00763 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM2B Q8NHM5 1/20 0.40

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
SCHEMBL3382643 0.91 HRH3 (0.62) HRH3PDE10AACACBKDM4EKDM2B
SCHEMBL3384630 0.82 HRH3 (0.42) HRH3PDE10AKDM4EALDH1A1HPGD
SCHEMBL3384524 0.80 HRH3 (0.61) HRH3PDE10AKDM4EALDH1A1CYP1A2
SCHEMBL3389205 0.79 HPGDS (0.45) HRH3
SCHEMBL3128330 0.79 HTR1A (0.49) KDM2B
SCHEMBL22416420 0.76 KDM4E (0.57) HRH3KDM4EALDH1A1CYP1A2HPGD
SCHEMBL3135941 0.76 HTR1A (0.53) CYP1A2KDM2B
SCHEMBL3384612 0.75 HRH3 (0.41) HRH3PDE10AKDM4EALDH1A1HPGD
SCHEMBL3384444 0.75 HRH4 (0.59) HRH3PDE10AACACB
SCHEMBL3389117 0.74 KMT2A (0.42) HRH3KDM4EALDH1A1HPGDKDM2B

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
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 claimed
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 HRH3 336/4885PDE10A 323/4885ACACB 1441/4885

“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.