SCHEMBL5869415

SCHEMBL5869415

NC(C[C@H](Oc1cccc2ccsc12)c1ccccc1)OC(=O)C(=O)OC(N)C[C@H](Oc1cccc2ccsc12)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 3/20 0.34
F9 P00740 9/20 0.33
F10 P00742 9/20 0.33
PLAU P00749 9/20 0.33
SLC6A3 Q01959 1/20 0.33
PABPC1 P11940 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CTSA P10619 1/20 0.31
CYP2A6 P11509 1/20 0.31
PMP22 Q01453 1/20 0.30
SLC6A9 P48067 1/20 0.30

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
SCHEMBL5869716 1.00 SLC6A2 (0.34) SLC6A2SLC6A4F9F10PLAU
SCHEMBL5869366 0.84 SLC6A2 (0.39) SLC6A2SLC6A4F9F10PLAU
SCHEMBL6560839 0.84 SLC6A2 (0.39) SLC6A2SLC6A4F9F10PLAU
SCHEMBL5869367 0.84 SLC6A2 (0.39) SLC6A2SLC6A4F9F10PLAU
SCHEMBL5869381 0.81 F9 (0.33) SLC6A2SLC6A4F9F10PLAU
SCHEMBL5869324 0.81 F9 (0.33) SLC6A2SLC6A4F9F10PLAU
Oxalic Acid SCHEMBL5869404 0.79 SLC6A2 (0.48) SLC6A2SLC6A4F9F10PLAU
Oxalic Acid SCHEMBL5869712 0.79 SLC6A2 (0.48) SLC6A2SLC6A4F9F10PLAU
SCHEMBL7317723 0.77 PPARG (0.45) SLC6A2SLC6A4F9F10PLAU
SCHEMBL7311168 0.77 KMT2A (0.50) SLC6A2SLC6A4SLC6A3PMP22SLC6A9

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-7037932-B2 Heteroaryloxy 3-substituted propanamines as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed
EP-1397129-B1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2005-11-16 EP disclosed
US-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2004-09-09 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-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ADRA2C, ADRB1, TPH1 SLC6A2 5/4885SLC6A4 7/4885F9 2043/4885

“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.