SCHEMBL4053920

SCHEMBL4053920

O=C(c1cc[c]cc1)N1CCC(O)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.48
GRM5 P41594 1/20 0.47
L3MBTL3 Q96JM7 7/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
PDK2 Q15119 1/20 0.45
GRM3 Q14832 2/20 0.45
VNN1 O95497 1/20 0.44
MBTD1 Q05BQ5 2/20 0.42
ACHE P22303 1/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
WDR91 A4D1P6 1/20 0.42

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
SCHEMBL28089590 1.00 HDAC4 (0.48) HDAC4GRM5L3MBTL3L3MBTL1PDK2
SCHEMBL747025 0.90 GRM5 (0.56) GRM5L3MBTL3L3MBTL1GRM3MBTD1
SCHEMBL4050629 0.86 CHRNB2 (0.42) L3MBTL3L3MBTL1PDK2VNN1
SCHEMBL16345451 0.83 NAMPT (0.51) L3MBTL3L3MBTL1MBTD1ACHETP53BP1
SCHEMBL5871923 0.83 ACHE (0.62) GRM5L3MBTL3L3MBTL1PDK2ACHE
SCHEMBL2720515 0.83 ACHE (0.62) GRM5L3MBTL3L3MBTL1PDK2ACHE
SCHEMBL12442621 0.83 ACHE (0.62) GRM5L3MBTL3L3MBTL1PDK2ACHE
SCHEMBL27823245 0.82 KDM1A (0.46) L3MBTL3L3MBTL1
SCHEMBL23388098 0.80 VNN1 (0.46) HDAC4GRM5L3MBTL3L3MBTL1PDK2
SCHEMBL23388169 0.80 VNN1 (0.46) HDAC4GRM5L3MBTL3L3MBTL1PDK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP claimed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
EP-1214296-B1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-6689909-B1 TREATMENT OF DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF DIABETES MELLITUS, PERIPHERAL VASCULAR DISEASE AND MYOCARDIAL ISCHAEMIA ASTRAZENECA AB (SE) 2004-02-10 US disclosed
EP-1214296-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001017956-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2001-03-15 WO 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 (1 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 HDAC4 1564/4885GRM5 379/4885L3MBTL3 4521/4885

“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.