SCHEMBL3290333

SCHEMBL3290333

CN(C(=O)O)C1Cc2ccc3c(c2O1)CCC3

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
METAP2 P50579 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL3292281 0.97 RXRA (0.36) RXRARXRBRXRGMETAP2ALDH1A1
SCHEMBL3290323 0.82 MAOA (0.30)
SCHEMBL3290325 0.80
SCHEMBL3296234 0.80 RXRA (0.36) RXRARXRBRXRGMETAP2
SCHEMBL3290427 0.79
SCHEMBL15758969 0.76 PARP1 (0.38) ALDH1A1
SCHEMBL15759012 0.73 TDP1 (0.39) ALDH1A1
SCHEMBL3290329 0.72 NFKB1 (0.39) RXRARXRBRXRGALDH1A1
SCHEMBL4596574 0.72 ALDH1A1 (0.40) ALDH1A1
SCHEMBL4230537 0.72 HTR1A (0.41) ALDH1A1

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 RXRA 1269/4885RXRB 1186/4885RXRG 1214/4885

“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.