SCHEMBL3827686

SCHEMBL3827686

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NC4CC4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAP3K5 Q99683 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1F P30939 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ADORA1 P30542 1/20 0.38
ADRA2A P08913 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
MCHR1 Q99705 1/20 0.38
TSHR P16473 2/20 0.38
MAPK10 P53779 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
SCHEMBL3831731 0.96 NPC1 (0.46) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL3833813 0.93 HTR1F (0.47) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL3832660 0.93 MAP3K5 (0.39) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL3827682 0.87 CCNE1 (0.42) MAPTCCNE1CDK2TP53ALDH1A1
SCHEMBL3826203 0.85 MAPK14 (0.43) RAB9ANPC1MAP3K5HTR1AHTR1F
SCHEMBL4402104 0.85 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAP3K5MAPT
SCHEMBL3815728 0.84 ADRA2A (0.45) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL3833014 0.84 RAB9A (0.41) RAB9ANPC1SMN1; SMN2HPGDMAP3K5
SCHEMBL4391744 0.84 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAP3K5MAPT
SCHEMBL3833164 0.84 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAP3K5ADORA1

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 RAB9A 1214/4885NPC1 76/4885SMN1; SMN2 614/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A RAB9A 1054/4885NPC1 308/4885SMN1; SMN2 1292/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP RAB9A 808/4885NPC1 256/4885SMN1; SMN2 31/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP RAB9A 2588/4885NPC1 3748/4885SMN1; SMN2 2432/4885

“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.