SCHEMBL3584830

SCHEMBL3584830

CC1(C(=O)c2ccc(-c3cc(C(F)(F)F)ccc3F)cc2)CCN(c2ncccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 9/20 0.50
USP2 O75604 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2D6 P10635 4/20 0.43
CYP2C19 P33261 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.41
TSHR P16473 1/20 0.41
NAMPT P43490 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL3585866 0.82 SLC6A7 (0.76) SLC6A7TSHRNAMPTL3MBTL1
SCHEMBL3589995 0.77 KDM4E (0.48) SLC6A7USP2HSD17B10TSHR
SCHEMBL4699807 0.76 SLC6A7 (0.46) SLC6A7USP2CYP2C9CYP2D6CYP2C19
SCHEMBL3823689 0.72 KDM4E (0.56) SLC6A7USP2HSD17B10SMN1; SMN2TSHR
SCHEMBL3582408 0.68 SLC6A7 (0.74) SLC6A7TSHRL3MBTL1
SCHEMBL18282923 0.67 CES2 (0.53) TSHR
SCHEMBL3583012 0.67 SLC6A7 (1.00) SLC6A7TSHRNAMPTL3MBTL1
SCHEMBL3574653 0.66 SLC6A7 (0.67) SLC6A7CYP2C19CYP3A4TSHR
SCHEMBL3578242 0.65 SLC6A7 (1.00) SLC6A7TSHRNAMPTL3MBTL1
SCHEMBL15416474 0.65 MEN1 (0.58) USP2CYP2C9CYP2D6CYP2C19HSD17B10

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 10 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
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 SLC6A7 1113/4885USP2 3871/4885CYP2C9 443/4885
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 SLC6A7 1024/4885USP2 2762/4885CYP2C9 4583/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A SLC6A7 746/4885USP2 2113/4885CYP2C9 4836/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP SLC6A7 2686/4885USP2 2729/4885CYP2C9 4681/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT SLC6A7 1113/4885USP2 3871/4885CYP2C9 443/4885

“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.