SCHEMBL4398705

SCHEMBL4398705

Cc1ccc(C(=O)Nc2ccc3c(C(=O)N4CCCC4)nn(CCC(C)C)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
GRM5 P41594 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTR1A P08908 1/20 0.37
HTR1F P30939 1/20 0.37
STK25 O00506 1/20 0.37
OPRK1 P41145 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 3/20 0.36

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
SCHEMBL4401713 0.91 GRM5 (0.39) RAB9ANPC1GRM5L3MBTL1STK25
SCHEMBL4398540 0.86 ADORA3 (0.44) RAB9ANPC1GRM5HTR1FOPRK1
SCHEMBL4396398 0.84 P2RY14 (0.49) RAB9ANPC1GRM5L3MBTL1HTR1A
SCHEMBL4397264 0.84 NPC1 (0.39) RAB9ANPC1HTR1AHTR1FTP53
SCHEMBL4398483 0.78 NPC1 (0.42) RAB9ANPC1GRM5L3MBTL1KDM4E
SCHEMBL4393075 0.74 KDM4E (0.42) RAB9ANPC1HTR1AHTR1FKDM4E
SCHEMBL4391749 0.73 RAB9A (0.43) RAB9ANPC1L3MBTL1KDM4EMAPK1
SCHEMBL4396800 0.73 RAB9A (0.39) RAB9ANPC1KDM4ETP53TSHR
SCHEMBL4396840 0.72 P2RY14 (0.48) RAB9ANPC1KDM4EPOLBNPSR1
SCHEMBL4794506 0.72 CCNE1 (0.40) ALDH1A1MEN1KMT2A

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
CN-101252935-A Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions containing them, and methods of their use LEXICON GENETICS INC (US) 2008-08-27 CN 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-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 76/4885GRM5 54/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A RAB9A 1054/4885NPC1 308/4885GRM5 31/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP RAB9A 808/4885NPC1 256/4885GRM5 87/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP RAB9A 2588/4885NPC1 3748/4885GRM5 2664/4885

“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.