SCHEMBL2413769

SCHEMBL2413769

Oc1ccc2sc(C3=CC4CCC(C3)N4)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CLK1 P49759 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
CA2 P00918 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
P2RY14 Q15391 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL2413772 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CLK1DYRK1ADYRK1B
SCHEMBL2412726 0.83 CHRNB2 (0.47) CHRNB2CHRNA4CCNT1CDK9APP
SCHEMBL2417452 0.81 CHRNB2 (0.42) CHRNB2CHRNA4CLK1DYRK1ADYRK1B
SCHEMBL2417457 0.81 CHRNB2 (0.42) CHRNB2CHRNA4CLK1DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL2549747 0.81 CHRNB2 (0.41) CHRNB2CHRNA4CLK1DYRK1ADYRK1B
SCHEMBL1023384 0.76 CHRNB2 (0.48) CHRNB2CHRNA4ESR1ESR2P2RY14
SCHEMBL1023383 0.76 CHRNB2 (0.48) CHRNB2CHRNA4ESR1ESR2P2RY14
Hydrochloric Acid SCHEMBL1072684 0.75 CHRNB2 (0.47) CHRNB2CHRNA4ESR1ESR2P2RY14
SCHEMBL3538504 0.72 CDK9 (0.46) CHRNB2CHRNA4P2RY14CCNT1CDK9
SCHEMBL3538509 0.72 CDK9 (0.46) CHRNB2CHRNA4P2RY14CCNT1CDK9

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 8 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 claimed
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 claimed
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 claimed
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 CHRNB2 57/4885CHRNA4 113/4885CLK1 4666/4885

“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.