SCHEMBL5869401

SCHEMBL5869401

CNC(C[C@@H](Oc1ccc(F)c2cc(C#N)sc12)c1ccccc1)OC(=O)/C=C/C(=O)OC(C[C@@H](Oc1ccc(F)c2cc(C#N)sc12)c1ccccc1)NC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.38
SLC6A4 P31645 13/20 0.35
CYP2D6 P10635 10/20 0.35
SLC6A2 P23975 10/20 0.35
KCNH2 Q12809 2/20 0.33
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
PLAU P00749 1/20 0.31
NOX1 Q9Y5S8 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
SCHEMBL5869330 0.85 NOS2 (0.37) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL5869214 0.85 NOS2 (0.37) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL5869452 0.83 F9 (0.44) F9F10PLAU
SCHEMBL5869591 0.83 F9 (0.44) F9F10PLAU
Fumaric Acid SCHEMBL5869407 0.81 NOS2 (0.55) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL5869226 0.78 SLC6A4 (0.57) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL5869493 0.75 NOS2 (0.44) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL5869158 0.75 NOS2 (0.44) NOS2SLC6A4CYP2D6SLC6A2KCNH2
SCHEMBL5869647 0.74 SLC6A4 (0.37) NOS2SLC6A4SLC6A2F9F10
SCHEMBL5869616 0.74 SLC6A4 (0.37) NOS2SLC6A4SLC6A2F9F10

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 NOS2 1895/4885SLC6A4 7/4885CYP2D6 92/4885

“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.