SCHEMBL4397264

SCHEMBL4397264

Cc1ccc(C(=O)Nc2ccc3c(C(=O)NC4CC4)nn(CCC(C)C)c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HTR1A P08908 1/20 0.39
HTR1F P30939 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.37
PLK1 P53350 1/20 0.37
F10 P00742 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTR3A P46098 2/20 0.36
USP30 Q70CQ3 1/20 0.36
TP53 P04637 1/20 0.36
KAT2B Q92831 1/20 0.36
TTK P33981 1/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 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
SCHEMBL4393075 0.91 KDM4E (0.42) NPC1RAB9AHTR1AHTR1FSMN1; SMN2
SCHEMBL4794506 0.88 CCNE1 (0.40) CYP1A2F10ALDH1A1HTR3AUSP30
SCHEMBL4396932 0.86 ADORA3 (0.44) NPC1RAB9AHTR1FHTR3ATP53
SCHEMBL4394568 0.84 HTR3A (0.42) NPC1RAB9AHTR1AHTR1FSMN1; SMN2
SCHEMBL4400221 0.84 P2RY14 (0.50) NPC1RAB9AHTR1AHTR1FSMN1; SMN2
SCHEMBL4398705 0.84 RAB9A (0.39) NPC1RAB9AHTR1AHTR1FSMN1; SMN2
SCHEMBL4394567 0.80 RAB9A (0.42) NPC1RAB9AHTR1AHTR1FSMN1; SMN2
SCHEMBL4794383 0.79 CCNE1 (0.41) NPC1RAB9AHPGDF10ALDH1A1
SCHEMBL4398483 0.78 NPC1 (0.42) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL4401713 0.74 GRM5 (0.39) NPC1RAB9ASMN1; SMN2HPGDLMNA

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
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
EP-1919482-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-05-14 EP disclosed
WO-2007024789-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2007-03-01 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 76/4885RAB9A 1214/4885HTR1A 736/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A NPC1 308/4885RAB9A 1054/4885HTR1A 412/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP NPC1 256/4885RAB9A 808/4885HTR1A 1154/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP NPC1 3748/4885RAB9A 2588/4885HTR1A 4134/4885

“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.