SCHEMBL5869322

SCHEMBL5869322

Fc1ccc(O[C@@H](CCCl)c2ccccc2)c2scc(Cl)c12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.46
NOS2 P35228 10/20 0.41
CYP2D6 P10635 5/20 0.41
SLC6A2 P23975 5/20 0.41
FFAR1 O14842 1/20 0.37
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
SLC7A5 Q01650 1/20 0.34
KCNH2 Q12809 1/20 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
SCHEMBL5869236 1.00 SLC6A4 (0.46) SLC6A4NOS2CYP2D6SLC6A2FFAR1
SCHEMBL5869247 0.89 SLC6A4 (0.45) SLC6A4NOS2CYP2D6SLC6A2SLC7A5
SCHEMBL5869352 0.89 SLC6A4 (0.45) SLC6A4NOS2CYP2D6SLC6A2SLC7A5
Hydrochloric Acid SCHEMBL5869232 0.85 SLC6A4 (0.64) SLC6A4NOS2CYP2D6SLC6A2KCNH2
Hydrochloric Acid SCHEMBL5869560 0.85 SLC6A4 (0.64) SLC6A4NOS2CYP2D6SLC6A2KCNH2
SCHEMBL5869196 0.83 SLC6A4 (0.44) SLC6A4NOS2CYP2D6SLC6A2SLC7A5
SCHEMBL5869298 0.83 SLC6A4 (0.44) SLC6A4NOS2CYP2D6SLC6A2SLC7A5
SCHEMBL5869266 0.79 SLC6A4 (0.44) SLC6A4NOS2CYP2D6SLC6A2FFAR1
SCHEMBL5869150 0.79 SLC6A4 (0.44) SLC6A4NOS2CYP2D6SLC6A2FFAR1
SCHEMBL5869305 0.77 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 SLC6A4 7/4885NOS2 1895/4885CYP2D6 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.