SCHEMBL5869191

SCHEMBL5869191

CNCC[C@H](Oc1cccc2ccsc12)c1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.70
SLC6A2 P23975 14/20 0.70
CYP2D6 P10635 4/20 0.53
NOS2 P35228 2/20 0.53
MEN1 O00255 4/20 0.50
LMNA P02545 4/20 0.50
KMT2A Q03164 4/20 0.50
PMP22 Q01453 4/20 0.50
CYP3A4 P08684 2/20 0.50
HTR2C P28335 2/20 0.50
SLC6A3 Q01959 2/20 0.50
ALDH1A1 P00352 1/20 0.50
APEX1 P27695 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GMNN O75496 1/20 0.50
HPGD P15428 1/20 0.50
GPR183 P32249 1/20 0.50
APLNR P35414 1/20 0.50
CX3CR1 P49238 1/20 0.50
GPR65 Q8IYL9 1/20 0.50

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
SCHEMBL5869187 1.00 SLC6A4 (0.70) SLC6A4SLC6A2CYP2D6NOS2MEN1
SCHEMBL5869188 0.90 SLC6A4 (0.69) SLC6A4SLC6A2CYP2D6NOS2MEN1
SCHEMBL5869192 0.90 SLC6A4 (0.69) SLC6A4SLC6A2CYP2D6NOS2MEN1
SCHEMBL5869252 0.87 SLC6A4 (0.54) SLC6A4SLC6A2CYP2D6KMT2APMP22
SCHEMBL5869251 0.87 SLC6A4 (0.54) SLC6A4SLC6A2CYP2D6KMT2APMP22
SCHEMBL5869278 0.86 SLC6A2 (0.68) SLC6A4SLC6A2CYP2D6MEN1LMNA
SCHEMBL5869283 0.86 SLC6A2 (0.68) SLC6A4SLC6A2CYP2D6MEN1LMNA
SCHEMBL5869148 0.84 SLC6A2 (0.69) SLC6A4SLC6A2CYP2D6NOS2MEN1
SCHEMBL5869145 0.84 SLC6A2 (0.69) SLC6A4SLC6A2CYP2D6NOS2MEN1
SCHEMBL5869354 0.83 SLC6A4 (0.67) SLC6A4SLC6A2CYP2D6MEN1KMT2A

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 7/4885SLC6A2 5/4885CYP2D6 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.