SCHEMBL3585561

SCHEMBL3585561

O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CCN(c2nc3ccccc3o2)CC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.75
HTT P42858 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
SLC6A7 Q99884 3/20 0.59
TSHR P16473 1/20 0.59
MGLL Q99685 4/20 0.54
HTR2B P41595 1/20 0.53
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
NAAA Q02083 1/20 0.52
FASN P49327 1/20 0.51
THRB P10828 1/20 0.50

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
SCHEMBL3574731 0.86 LMNA (0.69) LMNAHTTSMN1; SMN2SLC6A7TSHR
SCHEMBL95385 0.82 LMNA (0.73) LMNAHTTSMN1; SMN2TSHRMGLL
SCHEMBL4100656 0.79 NAAA (0.62) LMNAHTTSMN1; SMN2TSHRGAA
SCHEMBL15703694 0.78 LMNA (0.59) LMNAHTTSMN1; SMN2TSHRMGLL
SCHEMBL6912908 0.77 LMNA (0.57) LMNAHTTSMN1; SMN2TSHRMGLL
SCHEMBL5318590 0.75 GAA (0.67) LMNAHTTSMN1; SMN2TSHRGAA
SCHEMBL3583012 0.75 SLC6A7 (1.00) SLC6A7TSHR
SCHEMBL2200417 0.74 LMNA (0.57) LMNAHTTSMN1; SMN2TSHRGAA
SCHEMBL3582926 0.74 SLC6A7 (0.77) LMNAHTTSMN1; SMN2SLC6A7TSHR
SCHEMBL880471 0.73 GAA (0.64) LMNAHTTSMN1; SMN2TSHRGAA

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 15 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-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-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 (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 LMNA 1711/4885HTT 63/4885SMN1; SMN2 878/4885
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 LMNA 2148/4885HTT 177/4885SMN1; SMN2 614/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A LMNA 3990/4885HTT 395/4885SMN1; SMN2 1292/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP LMNA 1093/4885HTT 42/4885SMN1; SMN2 31/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT LMNA 1711/4885HTT 63/4885SMN1; SMN2 878/4885

“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.