SCHEMBL3289929

SCHEMBL3289929

C=CCc1ccc2c(c1OCc1ccccc1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
RXRB P28702 8/20 0.40
RXRA P19793 8/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
RXRG P48443 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
CXCR2 P25025 1/20 0.35
BCHE P06276 1/20 0.34

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
SCHEMBL3291871 0.97 RXRB (0.39) MAOBMAOARXRBRXRAMRGPRX4
SCHEMBL23858971 0.84 RXRB (0.41) MAOBMAOARXRBRXRAMRGPRX4
SCHEMBL3290986 0.82 L3MBTL1 (0.41) MAOBRXRBRXRARXRGL3MBTL1
SCHEMBL3293114 0.78 MAOB (0.38) MAOBMAOARXRBRXRAMRGPRX4
SCHEMBL21806587 0.77 MAOA (0.46) MAOBMAOARXRBRXRAMRGPRX4
SCHEMBL5808907 0.77 ALDH1A1 (0.42) L3MBTL1TDP1ALDH1A1GAAMAPT
SCHEMBL5879447 0.77 BCHE (0.47) L3MBTL1TDP1ALDH1A1GAAMAPT
SCHEMBL3292094 0.76 RXRB (0.44) MAOBMAOARXRBRXRAMRGPRX4
SCHEMBL25201648 0.76 MAOB (0.45) MAOBMAOARXRBRXRAMRGPRX4
SCHEMBL3291286 0.76 RXRB (0.39) MAOBMAOARXRBRXRAMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOB 47/4885MAOA 68/4885RXRB 1186/4885

“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.