SCHEMBL4491390

SCHEMBL4491390

CC(=O)Nc1cc(-c2cccc(Cl)c2)ccc1[C@H](O)C1CCN(c2ncccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 11/20 0.48
SLC6A3 Q01959 2/20 0.48
MALT1 Q9UDY8 2/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3816329 1.00 SLC6A7 (0.48) SLC6A7SLC6A3MALT1KDM4EMAPT
SCHEMBL4233971 1.00 SLC6A7 (0.48) SLC6A7SLC6A3MALT1KDM4EMAPT
SCHEMBL4488565 0.89 SLC6A7 (0.47) SLC6A7SLC6A3MALT1KDM4EMAPT
SCHEMBL4228777 0.89 SLC6A7 (0.47) SLC6A7SLC6A3MALT1KDM4EMAPT
SCHEMBL4228775 0.89 SLC6A7 (0.47) SLC6A7SLC6A3MALT1KDM4EMAPT
SCHEMBL4234602 0.82 SLC6A7 (0.50) SLC6A7SLC6A3MALT1
SCHEMBL4234609 0.82 SLC6A7 (0.50) SLC6A7SLC6A3MALT1
SCHEMBL4497275 0.82 SLC6A7 (0.50) SLC6A7SLC6A3MALT1
SCHEMBL4238999 0.82 SLC6A7 (0.51) SLC6A7SLC6A3MALT1KDM4ETP53
SCHEMBL4491772 0.81 SLC6A7 (0.49) SLC6A7SLC6A3MALT1

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-20080146596-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2008-06-19 US claimed
US-20090286820-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-11-19 US disclosed
US-20090286820-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-11-19 US disclosed
US-20090286820-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-11-19 US disclosed
US-20080146596-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2008-06-19 US disclosed
US-20080146596-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2008-06-19 US disclosed
US-20080146596-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2008-06-19 US disclosed
WO-2008058068-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-05-15 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-20080146596-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE CYP11B2, CYP11B1, CYP3A7 SLC6A7 2041/4885SLC6A3 1701/4885MALT1 1044/4885
US-20090286820-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE CYP11B2, CYP11B1, CYP3A7 SLC6A7 2041/4885SLC6A3 1701/4885MALT1 1044/4885

“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.