SCHEMBL3538504

SCHEMBL3538504

Fc1cccc2cc(C3=CC4CCC(C3)N4)sc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.46
CCNT1 O60563 3/20 0.46
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNA7 P36544 3/20 0.33
P2RY14 Q15391 1/20 0.33
HTR3A P46098 1/20 0.32

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
SCHEMBL3538509 1.00 CDK9 (0.46) CDK9CCNT1CHRNB2CHRNA4CHRNA7
Cadaverine Tartrate SCHEMBL3538150 0.89 CCNT1 (0.39) CDK9CCNT1CHRNB2CHRNA4CHRNA7
Cadaverine Tartrate SCHEMBL3538152 0.89 CCNT1 (0.39) CDK9CCNT1CHRNB2CHRNA4CHRNA7
SCHEMBL3539509 0.85 CHRNB2 (0.44) CDK9CCNT1CHRNB2CHRNA4CHRNA7
SCHEMBL3539511 0.85 CHRNB2 (0.44) CDK9CCNT1CHRNB2CHRNA4CHRNA7
SCHEMBL2412726 0.80 CHRNB2 (0.47) CDK9CCNT1CHRNB2CHRNA4
SCHEMBL2413769 0.72 CHRNB2 (0.41) CDK9CCNT1CHRNB2CHRNA4P2RY14
SCHEMBL2413772 0.72 CHRNB2 (0.41) CDK9CCNT1CHRNB2CHRNA4P2RY14
SCHEMBL3538066 0.72 SLC6A2 (0.49) CHRNA7HTR3A
SCHEMBL3538063 0.72 SLC6A2 (0.49) CHRNA7HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781456-B2 Enantiomers of 3-heteroaryl-8H-8-azabicyclo(3.2.1)oct-2-ene and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-08-24 US claimed
US-20080214820-A1 Enantiomers of 3-Heteroaryl-8H-8-Azabicyclo (3.2.1) Oct-2-Ene and their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-09-04 US claimed
US-7781456-B2 Enantiomers of 3-heteroaryl-8H-8-azabicyclo(3.2.1)oct-2-ene and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-08-24 US disclosed
US-20080214820-A1 Enantiomers of 3-Heteroaryl-8H-8-Azabicyclo (3.2.1) Oct-2-Ene and their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-09-04 US 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-20080214820-A1 Enantiomers of 3-Heteroaryl-8H-8-Azabicyclo (3.2.1) Oct-2-Ene and their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 CDK9 1844/4885CCNT1 1918/4885CHRNB2 39/4885

“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.