SCHEMBL3542115

SCHEMBL3542115

CN1C2C=C(c3cc4cccc(Cl)c4s3)CC1CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 5/20 0.49
HTR6 P50406 1/20 0.42
FGFR1 P11362 1/20 0.37
CHRNA7 P36544 4/20 0.35
HTR3A P46098 3/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
ALOX5 P09917 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL3542111 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR6FGFR1
SCHEMBL3538066 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR6CHRNA7
SCHEMBL3538063 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR6CHRNA7
Hydrochloric Acid SCHEMBL3537297 0.85 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR6CHRNA7
SCHEMBL3062717 0.80 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3HTR6NOS3
Bromide SCHEMBL8098518 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR6CHRNA7
Hydrochloric Acid SCHEMBL6498978 0.79 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL8108438 0.77 HTR6 (0.50) SLC6A2SLC6A4SLC6A3HTR6CHRNA7
SCHEMBL6492685 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR6NOS3
SCHEMBL7210034 0.73 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3FGFR1

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 2 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 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 SLC6A2 2/4885SLC6A4 7/4885SLC6A3 5/4885

“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.