SCHEMBL3818673

SCHEMBL3818673

CCOCCNC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)ncc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA3 P0DMS8 5/20 0.40
ADORA2A P29274 3/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
ADORA1 P30542 2/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NAMPT P43490 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL3819679 0.93 NPC1 (0.39) NPC1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL3812795 0.92 NPC1 (0.38) NPC1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL3820867 0.92 NPC1 (0.42) NPC1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL4389693 0.91 MCHR1 (0.36) NPC1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL3820094 0.91 KMT2A (0.39) NPC1KMT2ARAB9AADORA3NAMPT
SCHEMBL3822155 0.91 RET (0.43) HDAC3ALDH1A1HPGDKDM4ENAMPT
SCHEMBL3814274 0.90 RAB9A (0.44) NPC1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL3820791 0.88 KCNQ3 (0.38) KMT2AADORA3NAMPTMAPK1EGLN1
SCHEMBL3813353 0.88 MAPT (0.45) NPC1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL4393766 0.86 ALDH1A1 (0.38) NPC1MAPTKMT2ASMN1; SMN2PKM

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-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
WO-2006124897-A2 METHODS AND COMPOSITIONS FOR IMPROVING COGNITION 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

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 NPC1 76/4885MAPT 7/4885KMT2A 651/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A NPC1 308/4885MAPT 101/4885KMT2A 464/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP NPC1 256/4885MAPT 9/4885KMT2A 426/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP NPC1 3748/4885MAPT 1982/4885KMT2A 4307/4885

“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.