SCHEMBL4401713

SCHEMBL4401713

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 4/20 0.38
STK25 O00506 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.36
MCL1 Q07820 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
SCHEMBL4398705 0.91 RAB9A (0.39) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL4396398 0.85 P2RY14 (0.49) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL4398540 0.84 ADORA3 (0.44) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL4393075 0.83 KDM4E (0.42) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4399226 0.77 NAMPT (0.41) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL4398483 0.76 NPC1 (0.42) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL4396800 0.74 RAB9A (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4397264 0.74 NPC1 (0.39) NPC1RAB9AALDH1A1HPGDLMNA
SCHEMBL4396840 0.74 P2RY14 (0.48) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4398049 0.72 STK25 (0.44) GRM5NPC1RAB9AMEN1KMT2A

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 4 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
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US 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 GRM5 54/4885NPC1 76/4885RAB9A 1214/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A GRM5 31/4885NPC1 308/4885RAB9A 1054/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP GRM5 87/4885NPC1 256/4885RAB9A 808/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP GRM5 2664/4885NPC1 3748/4885RAB9A 2588/4885

“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.