SCHEMBL3583247

SCHEMBL3583247

O=C(c1ccc(-c2ccc(F)cc2F)nc1)N1CC2CN(c3ncccn3)CC2C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.54
HCRTR2 O43614 17/20 0.54
SLC6A7 Q99884 1/20 0.50
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3579391 0.86 L3MBTL1 (0.65) SLC6A7KDM4EL3MBTL1
SCHEMBL3578757 0.77 SLC6A7 (0.65) HCRTR1HCRTR2SLC6A7
SCHEMBL3587164 0.77 SLC6A7 (0.56) HCRTR1HCRTR2SLC6A7
SCHEMBL3583045 0.76 SLC6A7 (0.77) HCRTR1HCRTR2SLC6A7
SCHEMBL3580160 0.76 SLC6A7 (0.58) HCRTR1HCRTR2SLC6A7
SCHEMBL3574646 0.76 SLC6A7 (0.58) HCRTR1HCRTR2SLC6A7KDM4E
SCHEMBL18912803 0.72 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL3585870 0.72 SLC6A7 (0.76) SLC6A7KDM4EL3MBTL1
SCHEMBL18912859 0.71 HCRTR1 (0.79) HCRTR1HCRTR2
SCHEMBL4388622 0.71 P4HA1 (0.58) KDM4E

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-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
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-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 HCRTR1 71/4885HCRTR2 38/4885SLC6A7 1113/4885
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 HCRTR1 160/4885HCRTR2 127/4885SLC6A7 1024/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A HCRTR1 296/4885HCRTR2 181/4885SLC6A7 746/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP HCRTR1 210/4885HCRTR2 412/4885SLC6A7 2686/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT HCRTR1 71/4885HCRTR2 38/4885SLC6A7 1113/4885

“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.