SCHEMBL3811322

SCHEMBL3811322

O[C@H](c1ccc(-c2ccc(F)cc2F)cc1F)C1CCN(c2ncccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP9 Q86TI2 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
F2RL1 P55085 3/20 0.39
SLC6A7 Q99884 1/20 0.38
RPS6KB1 P23443 1/20 0.38
FEN1 P39748 2/20 0.38
ALOX5AP P20292 1/20 0.38
PDE2A O00408 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A9 P48067 1/20 0.38

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
SCHEMBL3817763 1.00 DPP4 (0.48) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL3811321 1.00 DPP4 (0.48) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL3819013 0.80 DPP4 (0.48) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL4732475 0.76 ALDH1A1 (0.52) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL4731167 0.73 KDM4E (0.46) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL4080097 0.72 SLC6A7 (0.40) KDM4EALDH1A1SLC6A7
SCHEMBL4731711 0.72 ALDH1A1 (0.47) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL4732472 0.72 ALDH1A1 (0.47) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL1349204 0.71 PDE2A (0.65) ALDH1A1F2RL1PDE2A
SCHEMBL3828020 0.71 MEN1 (0.41) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084145-A2 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-08-05 EP claimed
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
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 claimed
EP-2089376-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
EP-2084145-A2 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-08-05 EP 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-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
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
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-20080146600-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE CYP11B2, SDHA, CYCS DPP4 2418/4885DPP8 2029/4885DPP9 2034/4885
US-20090181992-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE APP, PARK7, BACE1 DPP4 3857/4885DPP8 3253/4885DPP9 3514/4885

“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.