SCHEMBL3583669

SCHEMBL3583669

COCNC(=O)C1CCN(c2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.57
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
GPR119 Q8TDV5 1/20 0.52
F10 P00742 1/20 0.51
TSHR P16473 3/20 0.50
HSD17B10 Q99714 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
THRB P10828 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47

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
SCHEMBL5006701 0.82 MALT1 (0.58) MALT1KDM4EALDH1A1HPGDGPR119
SCHEMBL20729064 0.82 KDM4E (0.67) MALT1KDM4EALDH1A1HPGDGPR119
SCHEMBL10154340 0.82 MALT1 (0.58) MALT1KDM4EALDH1A1GPR119F10
SCHEMBL3586557 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL5005725 0.79 KDM4E (0.55) MALT1KDM4EALDH1A1HPGDGPR119
SCHEMBL16695451 0.77 KDM4E (0.56) MALT1KDM4EALDH1A1HPGDGPR119
SCHEMBL30435392 0.77 MALT1 (0.56) MALT1KDM4EALDH1A1HPGDGPR119
SCHEMBL27722977 0.77 RIPK1 (0.61) MALT1KDM4EALDH1A1HPGDGPR119
SCHEMBL8283689 0.77 KDM4E (0.54) MALT1KDM4EALDH1A1GPR119F10
SCHEMBL3352709 0.76 MAPT (0.57) KDM4EALDH1A1GPR119TSHRHSD17B10

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 MALT1 3084/4885KDM4E 3142/4885ALDH1A1 1258/4885
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 MALT1 4362/4885KDM4E 2349/4885ALDH1A1 2105/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A MALT1 3482/4885KDM4E 1625/4885ALDH1A1 2253/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP MALT1 4476/4885KDM4E 1641/4885ALDH1A1 2944/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT MALT1 3084/4885KDM4E 3142/4885ALDH1A1 1258/4885

“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.