SCHEMBL4228775

SCHEMBL4228775

CNc1cc(-c2cccc(Cl)c2)ccc1[C@@H](O)C1CCN(c2ncccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 12/20 0.47
SLC6A3 Q01959 2/20 0.47
MALT1 Q9UDY8 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4488565 1.00 SLC6A7 (0.47) SLC6A7SLC6A3MALT1PDE4APDE4B
SCHEMBL4228777 1.00 SLC6A7 (0.47) SLC6A7SLC6A3MALT1PDE4APDE4B
SCHEMBL3816329 0.89 SLC6A7 (0.48) SLC6A7SLC6A3MALT1KDM4EMAPT
SCHEMBL4233971 0.89 SLC6A7 (0.48) SLC6A7SLC6A3MALT1KDM4EMAPT
SCHEMBL4491390 0.89 SLC6A7 (0.48) SLC6A7SLC6A3MALT1KDM4EMAPT
SCHEMBL4234602 0.85 SLC6A7 (0.50) SLC6A7SLC6A3MALT1PDE4APDE4B
SCHEMBL4234609 0.85 SLC6A7 (0.50) SLC6A7SLC6A3MALT1PDE4APDE4B
SCHEMBL4497275 0.85 SLC6A7 (0.50) SLC6A7SLC6A3MALT1PDE4APDE4B
SCHEMBL3828020 0.85 MEN1 (0.41) MALT1CNR2KDM4EALDH1A1
SCHEMBL4491772 0.85 SLC6A7 (0.49) SLC6A7SLC6A3MALT1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146600-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2008-06-19 US claimed
US-20090181992-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090181992-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090181992-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20080146600-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2008-06-19 US disclosed
US-20080146600-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2008-06-19 US disclosed
US-20080146600-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2008-06-19 US disclosed
WO-2008067120-A2 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 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 (2 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-20080146600-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE CYP11B2, SDHA, CYCS SLC6A7 1681/4885SLC6A3 1333/4885MALT1 1399/4885
US-20090181992-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE APP, PARK7, BACE1 SLC6A7 1297/4885SLC6A3 80/4885MALT1 2162/4885

“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.