SCHEMBL5843041

SCHEMBL5843041

CCN(c1ccc(NC(=O)C2CC(=O)N(CC(O)c3ccccc3)C2)cc1)c1nc(C)cc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 5/20 0.44
GLA P06280 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RXFP3 Q9NSD7 3/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 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
SCHEMBL5841923 0.90 ALDH1A1 (0.51) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL5843914 0.87 ALDH1A1 (0.72) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL6609711 0.87 ALDH1A1 (0.39) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL5842770 0.86 ALDH1A1 (0.59) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL5842742 0.84 ALDH1A1 (0.55) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL5843897 0.84 ALDH1A1 (0.66) ALDH1A1LMNAHTTL3MBTL1MAPT
SCHEMBL5841921 0.83 ALDH1A1 (0.51) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL5843048 0.82 PKM (0.50) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL5842904 0.82 ALDH1A1 (0.54) ALDH1A1LMNAHTTL3MBTL1NPC1
SCHEMBL5841936 0.81 ALDH1A1 (0.49) ALDH1A1LMNAHTTL3MBTL1NPC1

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-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US claimed
US-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed
EP-1599453-A1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US disclosed
WO-2004076426-A1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 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-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R ALDH1A1 3034/4885LMNA 3430/4885HTT 607/4885

“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.