SCHEMBL3577430

SCHEMBL3577430

O=C(c1ccc(-c2ccccc2)s1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ TSHR P16473 2/20 0.64
▸ SLC6A7 Q99884 8/20 0.63
▸ ALDH1A1 P00352 4/20 0.62
▸ KDM4E B2RXH2 3/20 0.56
▸ KMT2A Q03164 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MEN1 O00255 1/20 0.53

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
SCHEMBL4923412 0.81 MAPT (0.61) RECQLTSHRSLC6A7ALDH1A1KDM4E
SCHEMBL23244365 0.80 ME2 (0.66) TSHRSLC6A7ALDH1A1KMT2AL3MBTL1
SCHEMBL14134496 0.79 NPSR1 (0.67) RECQLTSHRALDH1A1KDM4EKMT2A
SCHEMBL5721843 0.79 HSD17B10 (0.74) RECQLHSD17B10TSHRSLC6A7ALDH1A1
SCHEMBL3581926 0.79 SLC6A7 (0.64) RECQLHSD17B10TSHRSLC6A7ALDH1A1
SCHEMBL13149786 0.74 ALDH1A1 (1.00) RECQLHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL14407986 0.73 GAA (0.62) TSHRSLC6A7ALDH1A1KMT2A
SCHEMBL4391715 0.73 SLC6A7 (0.90) TSHRSLC6A7ALDH1A1L3MBTL1
SCHEMBL910992 0.72 MGLL (0.58) —
SCHEMBL4929202 0.72 KDM4E (0.65) SLC6A7ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RECQL 1209/4885HSD17B10 292/4885TSHR 4163/4885
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 RECQL 674/4885HSD17B10 1124/4885TSHR 4433/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A RECQL 3606/4885HSD17B10 2306/4885TSHR 2746/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP RECQL 777/4885HSD17B10 832/4885TSHR 4853/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT RECQL 1209/4885HSD17B10 292/4885TSHR 4163/4885

“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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