SCHEMBL5869366

SCHEMBL5869366

CNC(C[C@H](Oc1cccc2ccsc12)c1ccccc1)OC(=O)C(=O)OC(C[C@H](Oc1cccc2ccsc12)c1ccccc1)NC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.39
SLC6A4 P31645 12/20 0.39
PMP22 Q01453 2/20 0.36
CYP1A2 P05177 5/20 0.34
CYP3A4 P08684 5/20 0.34
CYP2D6 P10635 5/20 0.34
SLC6A3 Q01959 5/20 0.34
TSHR P16473 3/20 0.34
KMT2A Q03164 3/20 0.34
ADRA2B P18089 3/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HRH1 P35367 3/20 0.34
OPRM1 P35372 3/20 0.34
DRD3 P35462 3/20 0.34
OPRK1 P41145 3/20 0.34
HTR2B P41595 3/20 0.34
KCNH2 Q12809 3/20 0.34
CHRM1 P11229 2/20 0.34
KLF10 Q13118 2/20 0.34

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
SCHEMBL5869367 1.00 SLC6A2 (0.39) SLC6A2SLC6A4PMP22CYP1A2CYP3A4
SCHEMBL6560839 1.00 SLC6A2 (0.39) SLC6A2SLC6A4PMP22CYP1A2CYP3A4
SCHEMBL5869349 0.86 SLC6A2 (0.44) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL5869716 0.84 SLC6A2 (0.34) SLC6A2SLC6A4PMP22SLC6A3F9
SCHEMBL5869415 0.84 SLC6A2 (0.34) SLC6A2SLC6A4PMP22SLC6A3F9
SCHEMBL5869267 0.83 F9 (0.41) SLC6A2SLC6A4F9F10PLAU
SCHEMBL5869517 0.83 F9 (0.41) SLC6A2SLC6A4F9F10PLAU
SCHEMBL5869616 0.82 SLC6A4 (0.37) SLC6A2SLC6A4LMNAF9F10
SCHEMBL5869647 0.82 SLC6A4 (0.37) SLC6A2SLC6A4LMNAF9F10
SCHEMBL5869414 0.80 MRGPRX4 (0.41) SLC6A4KMT2AMEN1

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 SLC6A2 5/4885SLC6A4 7/4885PMP22 3170/4885

“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.