SCHEMBL3585104

SCHEMBL3585104

Oc1cnc(N2CCC(C(O)c3ccc(-c4cccc(Cl)c4)cc3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 11/20 0.45
SLC6A3 Q01959 2/20 0.45
RPS6KB1 P23443 3/20 0.42
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
LRRK2 Q5S007 1/20 0.36
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
AOC3 Q16853 1/20 0.35

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
SCHEMBL4232315 1.00 SLC6A7 (0.45) SLC6A7SLC6A3RPS6KB1CNR2ALDH1A1
SCHEMBL3847460 1.00 SLC6A7 (0.45) SLC6A7SLC6A3RPS6KB1CNR2ALDH1A1
SCHEMBL3585163 0.90 SLC6A7 (0.56) SLC6A7SLC6A3RPS6KB1PDE4APDE4B
SCHEMBL4488282 0.90 SLC6A7 (0.56) SLC6A7SLC6A3RPS6KB1PDE4APDE4B
SCHEMBL4074249 0.90 SLC6A7 (0.56) SLC6A7SLC6A3RPS6KB1PDE4APDE4B
SCHEMBL4075764 0.83 ESR2 (0.36) SLC6A7SLC6A3RPS6KB1ALDH1A1AOC3
SCHEMBL4075757 0.83 ESR2 (0.36) SLC6A7SLC6A3RPS6KB1ALDH1A1AOC3
SCHEMBL13780807 0.79 SLC6A7 (0.46) SLC6A7SLC6A3RPS6KB1CNR2ALDH1A1
SCHEMBL4234609 0.78 SLC6A7 (0.50) SLC6A7SLC6A3PDE4APDE4BPDE4C
SCHEMBL4234602 0.78 SLC6A7 (0.50) SLC6A7SLC6A3PDE4APDE4BPDE4C

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181992-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-07-16 US 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
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
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 EP claimed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO claimed
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 US claimed
US-8772291-B2 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 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
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-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-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-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
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 WO disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 US disclosed
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 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 (8 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-20100081691-A1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE GRIN2C, CHAT, COMT SLC6A7 1113/4885SLC6A3 134/4885RPS6KB1 2686/4885
US-20080146600-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE CYP11B2, SDHA, CYCS SLC6A7 1681/4885SLC6A3 1333/4885RPS6KB1 937/4885
US-20090181992-A1 (S)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE APP, PARK7, BACE1 SLC6A7 1297/4885SLC6A3 80/4885RPS6KB1 1008/4885
US-20080146596-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE CYP11B2, CYP11B1, CYP3A7 SLC6A7 2041/4885SLC6A3 1701/4885RPS6KB1 663/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SLC6A7 746/4885SLC6A3 14/4885RPS6KB1 3506/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SLC6A7 2686/4885SLC6A3 406/4885RPS6KB1 4301/4885
US-20090286820-A1 (R)-PHENYL(HETEROCYCLE)METHANOL-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE CYP11B2, CYP11B1, CYP3A7 SLC6A7 2041/4885SLC6A3 1701/4885RPS6KB1 663/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT SLC6A7 1113/4885SLC6A3 134/4885RPS6KB1 2686/4885

“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.