SCHEMBL4396398

SCHEMBL4396398

Cc1ccc(C(=O)Nc2ccc3c(C(=O)N4CCCC4)nn(CC4CCC4)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.49
RET P07949 3/20 0.40
LCK P06239 1/20 0.40
SRC P12931 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1F P30939 1/20 0.39
GRM5 P41594 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
STK25 O00506 1/20 0.37
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL4400221 0.86 P2RY14 (0.50) P2RY14RETLCKSRCHTR1A
SCHEMBL4401713 0.85 GRM5 (0.39) GRM5GAAALDH1A1NPC1RAB9A
SCHEMBL4398705 0.84 RAB9A (0.39) HTR1AHTR1FGRM5GAAALDH1A1
SCHEMBL3833238 0.82 P2RY14 (0.47) P2RY14RETLCKSRCHTR1A
SCHEMBL4398540 0.82 ADORA3 (0.44) P2RY14HTR1FGRM5GAAALDH1A1
SCHEMBL4792082 0.74 CCNE1 (0.40) P2RY14RETLCKSRC
SCHEMBL4393075 0.72 KDM4E (0.42) HTR1AHTR1FGAAALDH1A1NPC1
SCHEMBL4397307 0.72 HRH3 (0.41) GAAALDH1A1
SCHEMBL4397301 0.72 HRH3 (0.41) GAAALDH1A1
SCHEMBL4394568 0.72 HTR3A (0.42) P2RY14RETHTR1AHTR1FNPC1

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 P2RY14 3461/4885RET 4670/4885LCK 3302/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A P2RY14 3056/4885RET 4669/4885LCK 1743/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP P2RY14 3825/4885RET 4484/4885LCK 3718/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP P2RY14 1188/4885RET 1981/4885LCK 586/4885

“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.