SCHEMBL5481817

SCHEMBL5481817

CCCC(CCNC)Oc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.54
PPARA Q07869 2/20 0.54
SLC6A4 P31645 9/20 0.43
CACNA2D1 P54289 3/20 0.41
CETP P11597 1/20 0.41
RAB9A P51151 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL5481816 1.00 PPARG (0.54) PPARGPPARASLC6A4CACNA2D1CETP
SCHEMBL5481812 1.00 PPARG (0.54) PPARGPPARASLC6A4CACNA2D1CETP
Hydrochloric Acid SCHEMBL5475519 0.99 PPARG (0.52) PPARGPPARASLC6A4CACNA2D1CETP
Hydrochloric Acid SCHEMBL5475524 0.99 PPARG (0.52) PPARGPPARASLC6A4CACNA2D1CETP
Hydrochloric Acid SCHEMBL5475527 0.99 PPARG (0.52) PPARGPPARASLC6A4CACNA2D1CETP
SCHEMBL3991808 0.81 PPARG (0.52) PPARGPPARASLC6A4CETPRAB9A
SCHEMBL5479117 0.80 PPARG (0.57) PPARGPPARASLC6A4CETPRAB9A
SCHEMBL5481622 0.80 PPARG (0.57) PPARGPPARASLC6A4CETPRAB9A
SCHEMBL5475463 0.79 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL5475469 0.79 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3

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 PPARG 3659/4885PPARA 4023/4885SLC6A4 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.