SCHEMBL5481778

SCHEMBL5481778

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.54
NOS2 P35228 6/20 0.54
SLC6A2 P23975 6/20 0.54
CYP2D6 P10635 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.42
SLC6A3 Q01959 2/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNH2 Q12809 3/20 0.40
SLC2A1 P11166 1/20 0.39

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
SCHEMBL5481779 1.00 SLC6A4 (0.54) SLC6A4NOS2SLC6A2CYP2D6SMN1; SMN2
SCHEMBL5481780 1.00 SLC6A4 (0.54) SLC6A4NOS2SLC6A2CYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL5478089 0.99 SLC6A4 (0.55) SLC6A4NOS2SLC6A2CYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL5478084 0.99 SLC6A4 (0.55) SLC6A4NOS2SLC6A2CYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL5478091 0.99 SLC6A4 (0.55) SLC6A4NOS2SLC6A2CYP2D6SMN1; SMN2
SCHEMBL5473701 0.90 SLC6A4 (0.66) SLC6A4NOS2SLC6A2CYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL5478668 0.89 SLC6A4 (0.67) SLC6A4NOS2SLC6A2CYP2D6SMN1; SMN2
SCHEMBL6329889 0.89 NOS2 (0.60) SLC6A4NOS2SLC6A2CYP2D6POLB
Hydrochloric Acid SCHEMBL6327619 0.87 NOS2 (0.59) SLC6A4NOS2SLC6A2CYP2D6POLB
SCHEMBL5481278 0.87 NOS2 (0.50) SLC6A4NOS2SLC6A2CYP2D6SMN1; SMN2

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 SLC6A4 15/4885NOS2 514/4885SLC6A2 3/4885

“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.