SCHEMBL17455406

SCHEMBL17455406

c1ccc([C@@H]2OCCNC[C@H]2c2ccc3ccccc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 1.00
SLC6A4 P31645 11/20 1.00
SLC6A3 Q01959 10/20 1.00
CYP2D6 P10635 7/20 1.00
KCNH2 Q12809 4/20 1.00
CYP3A4 P08684 2/20 0.52
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HTR2B P41595 2/20 0.42
ADRA1A P35348 1/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2C P28335 1/20 0.39
REN P00797 1/20 0.38

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
SCHEMBL20052872 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL14739080 0.85 SLC6A4 (0.74) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL14739638 0.85 SLC6A4 (0.74) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL14739408 0.85 SLC6A4 (0.74) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL14738866 0.85 SLC6A4 (0.74) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL3666071 0.85 SLC6A4 (0.74) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL1947311 0.85 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL1943610 0.85 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL12539679 0.85 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL12539616 0.85 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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 5 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-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
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.