SCHEMBL4994907

SCHEMBL4994907

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCO

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN3A Q9NY46 1/20 0.51
HDAC8 Q9BY41 1/20 0.49
SCN4A P35499 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL24648736 0.89 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL15244828 0.89 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL26039743 0.88 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL5873425 0.88 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL12966021 0.88 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL31421469 0.88 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL5873415 0.88 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL7398961 0.87 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL20061841 0.87 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL9371448 0.87 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462637-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2--a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7462637-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2--a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7462637-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2--a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
EP-1558248-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-A]IMIDAZOLE-3-SULFONYL]-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-03 EP disclosed
US-20050054704-A1 Derivatives of [6,7-dihydro-5H- Imidazo[1,2-a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-03-10 US disclosed
US-6852748-B1 Derivatives of [6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-08 US disclosed
WO-2004041273-A1 DERIVATIVES OF [6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3-SULFONYL]-PYRROLIDINE-2-CARBOXYLIC ACID AMIDE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-05-21 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-20050054704-A1 Derivatives of [6,7-dihydro-5H- Imidazo[1,2-a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide ARG1, HPGDS, MIF SMN1; SMN2 2456/4885ALDH1A1 1222/4885KMT2A 2058/4885

“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.