SCHEMBL5476908

SCHEMBL5476908

CCC[C@@H](CCNC)Oc1ccc(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.45
SLC6A3 Q01959 2/20 0.45
SLC6A4 P31645 17/20 0.43
NOS2 P35228 3/20 0.43
CYP2D6 P10635 2/20 0.43
HTR2A P28223 6/20 0.38
KCNH2 Q12809 6/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5476916 1.00 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4NOS2CYP2D6
SCHEMBL5476914 1.00 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4NOS2CYP2D6
Hydrochloric Acid SCHEMBL5475451 0.99 SLC6A4 (0.44) SLC6A2SLC6A3SLC6A4NOS2CYP2D6
Hydrochloric Acid SCHEMBL5475448 0.99 SLC6A4 (0.44) SLC6A2SLC6A3SLC6A4NOS2CYP2D6
Hydrochloric Acid SCHEMBL5475455 0.99 SLC6A4 (0.44) SLC6A2SLC6A3SLC6A4NOS2CYP2D6
SCHEMBL5481778 0.86 SLC6A4 (0.54) SLC6A2SLC6A3SLC6A4NOS2CYP2D6
SCHEMBL5481779 0.86 SLC6A4 (0.54) SLC6A2SLC6A3SLC6A4NOS2CYP2D6
SCHEMBL5481780 0.86 SLC6A4 (0.54) SLC6A2SLC6A3SLC6A4NOS2CYP2D6
Hydrochloric Acid SCHEMBL5478091 0.85 SLC6A4 (0.55) SLC6A2SLC6A3SLC6A4NOS2CYP2D6
Hydrochloric Acid SCHEMBL5478089 0.85 SLC6A4 (0.55) SLC6A2SLC6A3SLC6A4NOS2CYP2D6

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-20070072859-A1 Pharmaceutical compounds ELI LILLY AND COMPANY (US) 2007-03-29 US claimed
EP-1725518-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2006-11-29 EP claimed
WO-2005092835-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2005-10-06 WO claimed

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-20070072859-A1 Pharmaceutical compounds ADRB3, HTR3C, SLC6A2 SLC6A2 3/4885SLC6A3 13/4885SLC6A4 15/4885

“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.