SCHEMBL5869150

SCHEMBL5869150

Fc1ccc(O[C@@H](CCCl)c2ccccc2)c2sccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.44
NOS2 P35228 6/20 0.39
CYP2D6 P10635 6/20 0.37
SLC6A2 P23975 5/20 0.37
FFAR1 O14842 1/20 0.35
SLC7A5 Q01650 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
THPO P40225 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL5869266 1.00 SLC6A4 (0.44) SLC6A4NOS2CYP2D6SLC6A2FFAR1
SCHEMBL5869305 0.90 SLC6A4 (0.44) SLC6A4NOS2CYP2D6SLC6A2SLC7A5
SCHEMBL5869364 0.90 SLC6A4 (0.44) SLC6A4NOS2CYP2D6SLC6A2SLC7A5
SCHEMBL5869179 0.85 SLC6A4 (0.41) SLC6A4NOS2CYP2D6SLC6A2CYP1A2
SCHEMBL5869632 0.85 SLC6A4 (0.41) SLC6A4NOS2CYP2D6SLC6A2CYP1A2
Oxalic Acid SCHEMBL5869371 0.83 SLC6A4 (0.50) SLC6A4NOS2CYP2D6SLC6A2SLC7A5
Oxalic Acid SCHEMBL5869317 0.83 SLC6A4 (0.50) SLC6A4NOS2CYP2D6SLC6A2SLC7A5
Oxalic Acid SCHEMBL5869611 0.80 SLC6A4 (0.55) SLC6A4NOS2CYP2D6SLC6A2CYP1A2
Oxalic Acid SCHEMBL5869642 0.80 SLC6A4 (0.55) SLC6A4NOS2CYP2D6SLC6A2CYP1A2
SCHEMBL5869236 0.79 SLC6A4 (0.46) SLC6A4NOS2CYP2D6SLC6A2FFAR1

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 2 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
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.