SCHEMBL3579478

SCHEMBL3579478

CC(C)(C)OC(=O)N1C2CCC1CN(c1ncccn1)C2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.59
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ CHRM3 P20309 1/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ HSD11B1 P28845 1/20 0.48
▸ KCNK3 O14649 5/20 0.46
▸ KCNK9 Q9NPC2 5/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ SLC6A3 Q01959 1/20 0.45
▸ SLC6A7 Q99884 1/20 0.45
▸ MAPT P10636 1/20 0.44

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
SCHEMBL31271389 0.85 GPR119 (0.59) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL25309533 0.85 GPR119 (0.59) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL20456691 0.85 GPR119 (0.59) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL25310135 0.85 GPR119 (0.59) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL31271385 0.84 GPR119 (0.58) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL24962970 0.83 GPR119 (0.57) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL25311695 0.82 GPR119 (0.56) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL25313293 0.82 GPR119 (0.56) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL25309058 0.82 GPR119 (0.62) GPR119CHRM2CHRM1CHRM3HDAC1
SCHEMBL25876343 0.81 GPR119 (0.55) GPR119CHRM2CHRM1CHRM3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772291-B2 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 — — US disclosed
EP-1893212-B1 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2013-10-16 — — EP 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
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 — — EP disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 — — US disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 — — WO disclosed
EP-1893212-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-03-05 — — EP disclosed
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION LEXICON GENETICS INCORPORATED (US) 2006-11-23 — — WO disclosed
WO-2006124748-A2 MULTICYCLIC COMPOUNDS AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2006-11-23 — — WO disclosed
US-20060258672-A1 Multicyclic compounds and methods of their use LEXICON PHARMACEUTICALS, INC. 2006-11-16 — — US disclosed
US-20060258691-A1 Methods and compositions for improving cognition 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 (5 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 GPR119 344/4885CHRM2 68/4885CHRM1 124/4885
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 GPR119 1019/4885CHRM2 28/4885CHRM1 48/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A GPR119 1901/4885CHRM2 47/4885CHRM1 65/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP GPR119 2230/4885CHRM2 274/4885CHRM1 427/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT GPR119 344/4885CHRM2 68/4885CHRM1 124/4885

“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.

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