SCHEMBL4398540

SCHEMBL4398540

Cc1ccc(C(=O)Nc2ccc3c(C(=O)N4CCCC4)nn(CCc4ccccc4)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
P2RY14 Q15391 1/20 0.39
POLB P06746 1/20 0.39
OPRK1 P41145 2/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR1F P30939 1/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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 0.86 RAB9A (0.39) RAB9ANPC1POLBOPRK1KDM4E
SCHEMBL4396932 0.84 ADORA3 (0.44) ADORA3ADORA2AADORA1RAB9ANPC1
SCHEMBL4401713 0.84 GRM5 (0.39) RAB9ANPC1POLBKDM4ETP53
SCHEMBL4396398 0.82 P2RY14 (0.49) RAB9ANPC1P2RY14POLBMEN1
SCHEMBL4396487 0.78 KMT2A (0.40) ADORA3ADORA2AADORA1POLBKMT2A
SCHEMBL4396840 0.76 P2RY14 (0.48) ADORA3ADORA2AADORA1RAB9ANPC1
SCHEMBL4400724 0.75 P2RY14 (0.49) ADORA3ADORA2AADORA1RAB9ANPC1
SCHEMBL4398483 0.73 NPC1 (0.42) ADORA3ADORA2AADORA1RAB9ANPC1
SCHEMBL4794609 0.73 MAPT (0.43) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL4391749 0.72 RAB9A (0.43) ADORA3ADORA2AADORA1RAB9ANPC1

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 5 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
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 ADORA3 570/4885ADORA2A 458/4885ADORA1 309/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A ADORA3 781/4885ADORA2A 286/4885ADORA1 683/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP ADORA3 1476/4885ADORA2A 570/4885ADORA1 491/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP ADORA3 3654/4885ADORA2A 2936/4885ADORA1 4306/4885

“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.