SCHEMBL3539509

SCHEMBL3539509

Clc1cccc2cc(C3=CC4CCC(C3)N4)sc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
FGFR1 P11362 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
CHRNA7 P36544 3/20 0.33
HTR3A P46098 3/20 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
SCHEMBL3539511 1.00 CHRNB2 (0.44) CHRNB2CHRNA4CCNT1CDK9FGFR1
SCHEMBL3538504 0.85 CDK9 (0.46) CHRNB2CHRNA4CCNT1CDK9CHRNA7
SCHEMBL3538509 0.85 CDK9 (0.46) CHRNB2CHRNA4CCNT1CDK9CHRNA7
SCHEMBL2412726 0.80 CHRNB2 (0.47) CHRNB2CHRNA4CCNT1CDK9
Cadaverine Tartrate SCHEMBL3538150 0.76 CCNT1 (0.39) CHRNB2CHRNA4CCNT1CDK9HDAC4
Cadaverine Tartrate SCHEMBL3538152 0.76 CCNT1 (0.39) CHRNB2CHRNA4CCNT1CDK9HDAC4
SCHEMBL7523665 0.72 CHRNB2 (0.42) CHRNB2CHRNA4CCNT1CDK9
SCHEMBL2413769 0.72 CHRNB2 (0.41) CHRNB2CHRNA4CCNT1CDK9P2RY14
SCHEMBL2413772 0.72 CHRNB2 (0.41) CHRNB2CHRNA4CCNT1CDK9P2RY14
SCHEMBL3542115 0.72 SLC6A2 (0.49) FGFR1HDAC3HDAC4HDAC1HDAC7

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 CHRNB2 39/4885CHRNA4 114/4885CCNT1 1918/4885

“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.