SCHEMBL4238999

SCHEMBL4238999

CC(=O)Nc1cc(-c2cccc(Cl)c2)ccc1C(=O)C1CCN(c2ncccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 10/20 0.51
SLC6A3 Q01959 2/20 0.51
MALT1 Q9UDY8 2/20 0.48
KDM4E B2RXH2 3/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4232284 0.90 SLC6A7 (0.53) SLC6A7SLC6A3MALT1KDM4ETP53
SCHEMBL3579395 0.85 SLC6A7 (0.55) SLC6A7SLC6A3MALT1KDM4EMEN1
SCHEMBL3853233 0.84 SLC6A7 (0.54) SLC6A7SLC6A3MALT1KDM4EMEN1
SCHEMBL3579486 0.83 SLC6A7 (0.50) SLC6A7SLC6A3MALT1KDM4ETP53
SCHEMBL3585483 0.83 SLC6A7 (0.52) SLC6A7SLC6A3MALT1KDM4ETP53
SCHEMBL4233971 0.82 SLC6A7 (0.48) SLC6A7SLC6A3MALT1KDM4ETP53
SCHEMBL4491390 0.82 SLC6A7 (0.48) SLC6A7SLC6A3MALT1KDM4ETP53
SCHEMBL3816329 0.82 SLC6A7 (0.48) SLC6A7SLC6A3MALT1KDM4ETP53
SCHEMBL1135093 0.81 SLC6A7 (0.68) SLC6A7SLC6A3MALT1KDM4E
SCHEMBL30674402 0.81 SLC6A7 (0.68) SLC6A7SLC6A3MALT1KDM4E

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-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-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-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-20080146600-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2008-06-19 US 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 (4 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
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.