SCHEMBL5347550

SCHEMBL5347550

C[C@@H](CN(CCCOc1cccc(CC(=O)N(C)C)c1)Cc1cccc(C(F)(F)F)c1Cl)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 20/20 0.74
NR1H2 P55055 18/20 0.74
RXRA P19793 2/20 0.74
MEN1 O00255 1/20 0.74
NR1I2 O75469 1/20 0.74
ALDH1A1 P00352 1/20 0.74
MAPT P10636 1/20 0.74
VHL P40337 1/20 0.74
RECQL P46063 1/20 0.74
BLM P54132 1/20 0.74
KMT2A Q03164 1/20 0.74

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
SCHEMBL5347555 1.00 NR1H3 (0.74) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL14445853 1.00 NR1H3 (0.74) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL5349211 0.99 NR1H3 (0.74) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL5349225 0.99 NR1H3 (0.74) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL5359665 0.94 NR1H3 (0.84) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL5349204 0.93 NR1H3 (0.85) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4947481 0.93 NR1H3 (0.86) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3857876 0.93 NR1H3 (0.86) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3857872 0.93 NR1H3 (0.86) NR1H3NR1H2RXRAMEN1NR1I2
Hydrochloric Acid SCHEMBL6439583 0.92 NR1H3 (0.86) NR1H3NR1H2RXRAMEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247748-B2 Amide compounds and methods of using the same SMITHKLINE CORPORATION (US) 2007-07-24 US claimed
US-20050107444-A1 Amide compounds and methods of using the same GLAXOSMITHKLINE LLC 2005-05-19 US claimed
US-7247748-B2 Amide compounds and methods of using the same SMITHKLINE CORPORATION (US) 2007-07-24 US disclosed
US-7247748-B2 Amide compounds and methods of using the same SMITHKLINE CORPORATION (US) 2007-07-24 US disclosed
US-7247748-B2 Amide compounds and methods of using the same SMITHKLINE CORPORATION (US) 2007-07-24 US disclosed
EP-1497270-A4 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP disclosed
US-20050107444-A1 Amide compounds and methods of using the same GLAXOSMITHKLINE LLC 2005-05-19 US disclosed
EP-1497270-A1 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SmithKline Beecham Corporation (US) 2005-01-19 EP disclosed
WO-2004043939-A1 AMIDE COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 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-20050107444-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA NR1H3 2/4885NR1H2 1/4885RXRA 11/4885

“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.