SCHEMBL4397398

SCHEMBL4397398

Cc1ccc(C(=O)Nc2ccc3c(C(=O)N4CCCCC4c4ccccn4)nn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
BTK Q06187 14/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
POLB P06746 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
SCHEMBL4397307 0.80 HRH3 (0.41) ALDH1A1GAA
SCHEMBL4397301 0.80 HRH3 (0.41) ALDH1A1GAA
SCHEMBL4391580 0.78 ALDH1A1 (0.36) ADORA3ADORA2AALDH1A1GAAGRM5
SCHEMBL4391574 0.78 ALDH1A1 (0.36) ADORA3ADORA2AALDH1A1GAAGRM5
SCHEMBL4391355 0.75 TP53 (0.47) ALDH1A1GRM5POLB
SCHEMBL4394567 0.75 RAB9A (0.42) ALDH1A1POLB
SCHEMBL14357154 0.74 PRMT5 (0.45) PRMT5WDR77ADORA3BTKGPBAR1
SCHEMBL4391824 0.74 RAB9A (0.45) ADORA3ADORA2AALDH1A1GRM5POLB
SCHEMBL3961436 0.73 RAB9A (0.42) ADORA3ADORA2APOLB
SCHEMBL13212080 0.72 PRMT5 (0.53) PRMT5WDR77GPBAR1ALDH1A1GRM5

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 PRMT5 308/4885WDR77 842/4885ADORA3 570/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A PRMT5 322/4885WDR77 902/4885ADORA3 781/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP PRMT5 456/4885WDR77 551/4885ADORA3 1476/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP PRMT5 1203/4885WDR77 2291/4885ADORA3 3654/4885

“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.