SCHEMBL3589995

SCHEMBL3589995

O=C(c1ccc(-c2cc(C(F)(F)F)ccc2F)cc1)C1CCN(c2ncccn2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC6A7 Q99884 3/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD11B1 P28845 2/20 0.43
MGLL Q99685 2/20 0.42
NOTUM Q6P988 1/20 0.42
MAPT P10636 2/20 0.42
MALT1 Q9UDY8 1/20 0.42
PKM P14618 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL3823689 0.83 KDM4E (0.56) KDM4ELMNAUSP2TSHRHSD17B10
SCHEMBL3574653 0.81 SLC6A7 (0.67) KDM4ETSHRSLC6A7POLBALDH1A1
SCHEMBL3585866 0.80 SLC6A7 (0.76) KDM4ETSHRSLC6A7ALDH1A1
SCHEMBL3584830 0.77 SLC6A7 (0.50) USP2TSHRHSD17B10SLC6A7
SCHEMBL3821810 0.76 SLC6A7 (0.44) KDM4ELMNAUSP2ALOX15TSHR
SCHEMBL3576158 0.75 SLC6A7 (0.64) KDM4ESLC6A7NOTUM
SCHEMBL3591130 0.74 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL3586199 0.72 BCHE (0.56) KDM4ELMNAALOX15TSHRHSD17B10
SCHEMBL6212106 0.71 L3MBTL1 (0.62) KDM4ETSHRSLC6A7POLBALDH1A1
SCHEMBL3576083 0.71 HSD11B1 (0.54) KDM4ESLC6A7HSD11B1MGLLNOTUM

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 8 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
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
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 KDM4E 3142/4885LMNA 1711/4885USP2 3871/4885
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 KDM4E 2349/4885LMNA 2148/4885USP2 2762/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KDM4E 1625/4885LMNA 3990/4885USP2 2113/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KDM4E 1641/4885LMNA 1093/4885USP2 2729/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT KDM4E 3142/4885LMNA 1711/4885USP2 3871/4885

“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.