SCHEMBL2419033

SCHEMBL2419033

COc1ccc2sc(C3=CC4CCC(C3)N4C)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR6 P50406 1/20 0.36
CHRNA7 P36544 2/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
HTR3A P46098 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL2419034 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3BACE1KDM4E
SCHEMBL8108438 0.83 HTR6 (0.50) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL3062717 0.82 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3HTR6
Hydrochloric Acid SCHEMBL6498978 0.81 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL1022680 0.79 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3KDM4EGLA
SCHEMBL1022681 0.79 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3KDM4EGLA
Hydrochloric Acid SCHEMBL1022164 0.78 SLC6A4 (0.55) SLC6A2SLC6A4SLC6A3KDM4EGLA
SCHEMBL7806038 0.74 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KDM4EGLA
SCHEMBL6500944 0.74 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HTR6
Cadaverine Tartrate SCHEMBL3542909 0.74 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3KMT2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367818-B1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES AND THEIR USE AS MONO-AMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS INITIATOR PHARMA AS (DK) 2018-07-25 EP disclosed
US-8633218-B2 8-azabicyclo[3.2.1]oct-2-ene derivatives and their use as monoamine neurotransmitter re-uptake inhibitors ANIONA APS (DK) 2014-01-21 US disclosed
US-20110263640-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-10-27 US disclosed
EP-2367818-A1 8-AZABICYCLO Ý3.2.1¨OCT-2-ENE DERIVATIVES AND THEIR USE AS MONO-AMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2011-09-28 EP disclosed
WO-2010057848-A1 8-AZABICYCLO [3.2.1]OCT-2-ENE DERIVATIVES AND THEIR USE AS MONO-AMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-05-27 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-20110263640-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 SLC6A2 2/4885SLC6A4 7/4885SLC6A3 6/4885

“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.