SCHEMBL16115182

SCHEMBL16115182

N#CC(c1ccc2ccccc2c1)C(O)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 13/20 0.56
SLC6A2 P23975 12/20 0.56
SLC6A4 P31645 12/20 0.56
KCNH2 Q12809 7/20 0.56
CYP3A4 P08684 7/20 0.56
CYP2D6 P10635 6/20 0.56
UGT2B7 P16662 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
AHR P35869 1/20 0.37
SLC10A1 Q14973 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL17455125 0.80 SLC6A2 (0.54) SLC6A3SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL3663686 0.79 SLC6A2 (0.54) SLC6A3SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL17455316 0.77 SLC6A2 (0.57) SLC6A3SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL16114671 0.76 SLC6A2 (0.62) SLC6A3SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL12004836 0.75 SLC6A2 (0.45) SLC6A3SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL17455293 0.75 SLC6A2 (0.70) SLC6A3SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL16113625 0.74 SLC6A2 (0.54) SLC6A3SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL17455348 0.74 SLC6A2 (0.56) SLC6A3SLC6A2SLC6A4KCNH2CYP3A4
Hydrochloric Acid SCHEMBL17455166 0.74 SLC6A2 (0.69) SLC6A3SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL17455382 0.73 SLC6A2 (0.55) SLC6A3SLC6A2SLC6A4KCNH2CYP3A4

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-20160024044-A1 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2016-01-28 US disclosed
WO-2014159251-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-10-02 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-20160024044-A1 INHIBITING NEUROTRANSMITTER REUPTAKE SLC6A2, SLC18A2, SLC6A4 SLC6A3 4/4885SLC6A2 1/4885SLC6A4 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.