SCHEMBL17455448

SCHEMBL17455448

CNCC(c1ccc(Br)cc1)[C@H](O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 1.00
SLC6A4 P31645 20/20 1.00
SLC6A3 Q01959 20/20 1.00
CYP3A4 P08684 12/20 0.74
CYP2D6 P10635 12/20 0.74
KCNH2 Q12809 12/20 0.66

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
SCHEMBL1903873 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL12004648 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL17455449 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL1898584 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL1897214 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL1903870 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL17455346 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL17471759 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL1897104 0.84 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL20052873 0.84 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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-9944618-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-04-17 US disclosed
US-9944618-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-04-17 US disclosed
US-20160024044-A1 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2016-01-28 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-20160024044-A1 INHIBITING NEUROTRANSMITTER REUPTAKE SLC6A2, SLC18A2, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885SLC6A3 4/4885

“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.