SCHEMBL5996512

SCHEMBL5996512

CCCN(Cc1cccc(Cl)c1Cl)C1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.62
SLC6A2 P23975 17/20 0.62
SLC6A3 Q01959 10/20 0.60
CYP2D6 P10635 5/20 0.60
NOS2 P35228 2/20 0.57
NOS3 P29474 1/20 0.57
NOS1 P29475 1/20 0.57
CYP3A4 P08684 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL5819349 0.92 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3CYP2D6NOS2
SCHEMBL5996564 0.92 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3CYP2D6NOS2
Fumaric Acid SCHEMBL5996936 0.90 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
Fumaric Acid SCHEMBL5996932 0.90 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL5997056 0.89 SLC6A2 (0.70) SLC6A4SLC6A2SLC6A3NOS2NOS3
SCHEMBL5995692 0.85 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
Fumaric Acid SCHEMBL5994218 0.83 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3CYP2D6NOS2
Fumaric Acid SCHEMBL5994223 0.83 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3CYP2D6NOS2
SCHEMBL5993869 0.83 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL5995156 0.83 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079554-A1 Inhibitors of monomine uptake ELI LILLY AND COMPANY 2006-04-13 US disclosed
EP-1569905-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-09-07 EP disclosed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 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-20060079554-A1 Inhibitors of monomine uptake SLC6A2, SLC18A2, SLC6A3 SLC6A4 4/4885SLC6A2 1/4885SLC6A3 3/4885

“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.