SCHEMBL5869324

SCHEMBL5869324

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F9 P00740 5/20 0.33
F10 P00742 5/20 0.33
PLAU P00749 5/20 0.33
SLC6A4 P31645 5/20 0.33
NOS2 P35228 4/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
MET P08581 1/20 0.31
KDR P35968 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL5869381 1.00 F9 (0.33) F9F10PLAUSLC6A4NOS2
SCHEMBL5869647 0.85 SLC6A4 (0.37) F9F10PLAUSLC6A4NOS2
SCHEMBL5869616 0.85 SLC6A4 (0.37) F9F10PLAUSLC6A4NOS2
SCHEMBL7317723 0.81 PPARG (0.45) F9F10PLAUSLC6A4NOS2
Oxalic Acid SCHEMBL5869371 0.81 SLC6A4 (0.50) SLC6A4NOS2CYP2D6SLC6A2SLC7A5
Oxalic Acid SCHEMBL5869317 0.81 SLC6A4 (0.50) SLC6A4NOS2CYP2D6SLC6A2SLC7A5
SCHEMBL5869716 0.81 SLC6A2 (0.34) F9F10PLAUSLC6A4SLC6A2
SCHEMBL5869415 0.81 SLC6A2 (0.34) F9F10PLAUSLC6A4SLC6A2
SCHEMBL5869150 0.76 SLC6A4 (0.44) SLC6A4NOS2CYP2D6SLC6A2SLC7A5
SCHEMBL5869266 0.76 SLC6A4 (0.44) SLC6A4NOS2CYP2D6SLC6A2SLC7A5

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 F9 2043/4885F10 2617/4885PLAU 4765/4885

“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.