SCHEMBL3315818

SCHEMBL3315818

CC=CCC(CC=CC=CCCCC)NC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
FASN P49327 1/20 0.36
FAAH O00519 6/20 0.35
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
PPARG P37231 2/20 0.32
GPR132 Q9UNW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3315821 0.75 ALDH1A1 (0.36) ALDH1A1TSHRFASNFAAHPPARG
SCHEMBL3315816 0.75 ALDH1A1 (0.36) ALDH1A1TSHRFASNFAAHPPARG
SCHEMBL28640772 0.74 TSHR (0.48) ALDH1A1TSHRFASNFAAHCNR1
SCHEMBL21044846 0.72 FASN (0.55) ALDH1A1TSHRFASNFAAHPPARG
SCHEMBL10318388 0.72 ALDH1A1 (0.39) ALDH1A1TSHRFASNFAAHCNR1
SCHEMBL28336472 0.71 ALDH1A1 (0.36) ALDH1A1TSHRFASNFAAHCNR1
SCHEMBL6473479 0.71
SCHEMBL574186 0.71
SCHEMBL6479729 0.71
SCHEMBL6473565 0.71

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP claimed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 US claimed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 WO claimed
US-7728155-B2 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH LLC (US) 2010-06-01 US disclosed
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 US disclosed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 WO 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-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B ALDH1A1 185/4885TSHR 474/4885FASN 1878/4885

“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.