SCHEMBL3586559

SCHEMBL3586559

CON(C)C(=O)C1CCN(c2ncccn2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.52
CYP2C19 P33261 3/20 0.52
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL3577631 0.89 KDM4E (0.43) KDM4ECYP2C19HPGDALDH1A1TSHR
SCHEMBL3583670 0.79 GPR119 (0.51) KDM4ECYP2C19HPGDALDH1A1TSHR
SCHEMBL15416556 0.76 KDM4E (0.81) KDM4ECYP2C19ALDH1A1TSHRLMNA
SCHEMBL10207358 0.75 NOTUM (0.62) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL18255216 0.74 KDM4E (0.66) KDM4ECYP2C19HPGDALDH1A1TSHR
SCHEMBL3586557 0.74 KDM4E (0.67) KDM4ECYP2C19HPGDALDH1A1TSHR
SCHEMBL13406712 0.73 NOTUM (0.53) CYP2C19HPGDALDH1A1MEN1KMT2A
SCHEMBL7660062 0.72 LSS (0.48) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL12639917 0.71 KDM4E (0.72) KDM4ECYP2C19HPGDALDH1A1TSHR
SCHEMBL413771 0.71 PKM (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 KDM4E 3142/4885CYP2C19 192/4885HPGD 448/4885
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 2349/4885CYP2C19 4107/4885HPGD 1508/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A KDM4E 1625/4885CYP2C19 4665/4885HPGD 2132/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP KDM4E 1641/4885CYP2C19 4314/4885HPGD 2658/4885
US-20060258672-A1 Multicyclic compounds and methods of their use GRIN2C, CHAT, COMT KDM4E 3142/4885CYP2C19 192/4885HPGD 448/4885

“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.