SCHEMBL17455121

SCHEMBL17455121

CN(C)CC(c1ccc2ccccc2c1)C(O)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 1.00
SLC6A4 P31645 19/20 1.00
SLC6A3 Q01959 19/20 1.00
KCNH2 Q12809 11/20 1.00
CYP3A4 P08684 8/20 1.00
CYP2D6 P10635 8/20 1.00
AOC3 Q16853 1/20 0.47

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
SCHEMBL17471765 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL17455389 0.83 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL17455186 0.82 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL17455169 0.82 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL16114530 0.82 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL16114446 0.82 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
Hydrochloric Acid SCHEMBL17455290 0.82 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL3678260 0.81 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL3682070 0.81 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL3679703 0.81 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4

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-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.