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SCHEMBL4389693

SCHEMBL4389693

CCOCCNC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C(C)C)cc3)ncc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HCAR2 Q8TDS4 9/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ DEGS1 O15121 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NTRK1 P04629 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3818673 0.91 NPC1 (0.41) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL3812795 0.90 NPC1 (0.38) MAPTKDM4EALDH1A1HPGDNAMPT
SCHEMBL3822155 0.88 RET (0.43) MCHR1KDM4EALDH1A1HPGDNAMPT
SCHEMBL3820094 0.87 KMT2A (0.39) TP53NAMPTLMNANTRK1NPC1
SCHEMBL3817641 0.85 DEGS1 (0.39) MAPTTP53KDM4EDEGS1LMNA
SCHEMBL3820791 0.85 KCNQ3 (0.38) NAMPTNTRK1KMT2A
SCHEMBL3819679 0.84 NPC1 (0.39) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL4880213 0.83 RET (0.38) KDM4EALDH1A1HPGDNAMPTDEGS1
SCHEMBL3823225 0.83 RET (0.40) TP53ALDH1A1HPGDDEGS1NTRK1
SCHEMBL3820867 0.83 NPC1 (0.42) MAPTTP53KDM4EALDH1A1HPGD

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 MCHR1 1602/4885MAPT 7/4885TP53 3010/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A MCHR1 1494/4885MAPT 101/4885TP53 3491/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP MCHR1 887/4885MAPT 9/4885TP53 1365/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP MCHR1 4803/4885MAPT 1982/4885TP53 305/4885

“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.