SCHEMBL3828162

SCHEMBL3828162

CCCCC(C)NC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.39
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
MAP3K5 Q99683 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
ADORA3 P0DMS8 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL4400971 1.00 MLYCD (0.39) MLYCDRAB9ANPC1MAPTKDM4E
SCHEMBL3830200 0.91 MAPT (0.44) RAB9ANPC1MAPTKDM4ERECQL
SCHEMBL4399299 0.91 MAPT (0.44) RAB9ANPC1MAPTKDM4ERECQL
SCHEMBL3828151 0.88 CNR1 (0.35) MLYCDSMN1; SMN2CNR1CNR2TAS1R3
SCHEMBL3828156 0.88 CNR1 (0.35) MLYCDSMN1; SMN2CNR1CNR2TAS1R3
SCHEMBL3833164 0.87 RAB9A (0.42) RAB9ANPC1KDM4EMAP3K5ADORA2A
SCHEMBL4395555 0.86 RAB9A (0.40) RAB9ANPC1MAPTKDM4ERECQL
SCHEMBL4395549 0.86 RAB9A (0.40) RAB9ANPC1MAPTKDM4ERECQL
SCHEMBL4398009 0.86 RAB9A (0.40) RAB9ANPC1MAPTKDM4ERECQL
SCHEMBL4396816 0.85 RAB9A (0.41) RAB9ANPC1KDM4EMAP3K5ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 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 (4 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-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 MLYCD 3069/4885RAB9A 1214/4885NPC1 76/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A MLYCD 3830/4885RAB9A 1054/4885NPC1 308/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP MLYCD 1673/4885RAB9A 808/4885NPC1 256/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP MLYCD 558/4885RAB9A 2588/4885NPC1 3748/4885

“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.