SCHEMBL5869330

SCHEMBL5869330

CNC(C[C@H](Oc1cccc2cc(C#N)sc12)c1ccccc1)OC(=O)/C=C/C(=O)OC(C[C@H](Oc1cccc2cc(C#N)sc12)c1ccccc1)NC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.37
SLC6A2 P23975 9/20 0.37
SLC6A4 P31645 9/20 0.37
CYP2D6 P10635 8/20 0.37
F9 P00740 6/20 0.33
F10 P00742 6/20 0.33
PLAU P00749 6/20 0.33
KCNH2 Q12809 2/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL5869214 1.00 NOS2 (0.37) NOS2SLC6A2SLC6A4CYP2D6F9
SCHEMBL5869591 0.86 F9 (0.44) F9F10PLAU
SCHEMBL5869452 0.86 F9 (0.44) F9F10PLAU
SCHEMBL5869401 0.85 NOS2 (0.38) NOS2SLC6A2SLC6A4CYP2D6F9
Fumaric Acid SCHEMBL5869220 0.80 NOS2 (0.55) NOS2SLC6A2SLC6A4CYP2D6KCNH2
Fumaric Acid SCHEMBL5869334 0.80 NOS2 (0.55) NOS2SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL5869147 0.74 SLC6A2 (0.42) NOS2SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL5869361 0.74 SLC6A2 (0.40) NOS2SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL5869257 0.74 SLC6A2 (0.42) NOS2SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL5869233 0.74 SLC6A2 (0.40) NOS2SLC6A2SLC6A4CYP2D6KCNH2

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 1895/4885SLC6A2 5/4885SLC6A4 7/4885

“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.