SCHEMBL5869591

SCHEMBL5869591

CNC(C[C@H](Oc1cccc2sc(C#N)cc12)c1ccccc1)OC(=O)/C=C/C(=O)OC(C[C@H](Oc1cccc2sc(C#N)cc12)c1ccccc1)NC

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F9 P00740 20/20 0.44
F10 P00742 20/20 0.44
PLAU P00749 20/20 0.44

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
SCHEMBL5869452 1.00 F9 (0.44) F9F10PLAU
SCHEMBL5869214 0.86 NOS2 (0.37) F9F10PLAU
SCHEMBL5869330 0.86 NOS2 (0.37) F9F10PLAU
SCHEMBL5869401 0.83 NOS2 (0.38) F9F10PLAU
Fumaric Acid SCHEMBL5869456 0.80 NOS2 (0.55) F9F10PLAU
Fumaric Acid SCHEMBL5869595 0.80 NOS2 (0.55) F9F10PLAU
SCHEMBL5869599 0.74 F9 (0.48) F9F10PLAU
SCHEMBL6277974 0.74 F9 (0.48) F9F10PLAU
SCHEMBL5869227 0.74 F9 (0.48) F9F10PLAU
SCHEMBL5869903 0.73 F9 (0.47) F9F10PLAU

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.