SCHEMBL5869616

SCHEMBL5869616

CNC(C[C@H](Oc1ccc(F)c2ccsc12)c1ccccc1)OC(=O)C(=O)OC(C[C@H](Oc1ccc(F)c2ccsc12)c1ccccc1)NC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.37
F9 P00740 4/20 0.32
F10 P00742 4/20 0.32
PLAU P00749 4/20 0.32
NOS2 P35228 1/20 0.32
MET P08581 1/20 0.32
KDR P35968 1/20 0.32
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
SLC6A2 P23975 1/20 0.31
CTSA P10619 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
SCHEMBL5869647 1.00 SLC6A4 (0.37) SLC6A4F9F10PLAUNOS2
SCHEMBL5869381 0.85 F9 (0.33) SLC6A4F9F10PLAUNOS2
SCHEMBL5869324 0.85 F9 (0.33) SLC6A4F9F10PLAUNOS2
SCHEMBL5869366 0.82 SLC6A2 (0.39) SLC6A4F9F10PLAULMNA
SCHEMBL6560839 0.82 SLC6A2 (0.39) SLC6A4F9F10PLAULMNA
SCHEMBL5869367 0.82 SLC6A2 (0.39) SLC6A4F9F10PLAULMNA
SCHEMBL5869517 0.81 F9 (0.41) SLC6A4F9F10PLAUSLC6A2
SCHEMBL5869267 0.81 F9 (0.41) SLC6A4F9F10PLAUSLC6A2
Oxalic Acid SCHEMBL5869611 0.80 SLC6A4 (0.55) SLC6A4NOS2LMNASLC6A2
Oxalic Acid SCHEMBL5869642 0.80 SLC6A4 (0.55) SLC6A4NOS2LMNASLC6A2

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 SLC6A4 7/4885F9 2043/4885F10 2617/4885

“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.