SCHEMBL631060

SCHEMBL631060

CCOC(=O)C1(C)CCCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
EPHX1 P07099 1/20 0.37
ADORA1 P30542 1/20 0.37
CHRM1 P11229 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL442966 0.94 SMN1; SMN2 (0.45) HPGDSMN1; SMN2USP2EPHX1ADORA1
SCHEMBL30453762 0.89 HPGD (0.39) HPGDSMN1; SMN2USP2MEN1KMT2A
SCHEMBL30453434 0.89 HPGD (0.39) HPGDSMN1; SMN2USP2MEN1KMT2A
SCHEMBL2891521 0.89 HPGD (0.39) HPGDSMN1; SMN2USP2MEN1KMT2A
Dioxane SCHEMBL28087446 0.88 SMN1; SMN2 (0.57) SMN1; SMN2USP2ADORA1L3MBTL1ALDH1A1
SCHEMBL29211282 0.86 USP2 (0.40) SMN1; SMN2USP2ADORA1
SCHEMBL20423585 0.85 USP2 (0.40) HPGDSMN1; SMN2USP2ADORA1L3MBTL1
SCHEMBL14709701 0.85 HPGD (0.44) HPGDSMN1; SMN2USP2MEN1KMT2A
SCHEMBL5766033 0.84 TSHR (0.44) SMN1; SMN2USP2L3MBTL1ALDH1A1MAPT
SCHEMBL17714451 0.83 USP2 (0.45) HPGDSMN1; SMN2USP2EPHX1ALDH1A1

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-2420234-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS PARP INHIBITORS FOR USE IN TREATING CANCER ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-2420499-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS POTENT PARP INHIBITORS ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-1869011-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2012-08-01 EP disclosed
EP-2420234-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as PARP inhibitors for use in treating cancer Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2420499-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as potent PARP inhibitors Abbott Laboratories (US) 2012-02-22 EP disclosed
US-7550603-B2 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-06-23 US disclosed
CN-101155797-A 1H-benzimidazole-4-carboxamide compounds substituted at the 2-position with a quaternary carbon atom are potent PARP inhibitors ABBOTT LAB (US) 2008-04-02 CN disclosed
EP-1869011-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-26 EP disclosed
WO-2006110816-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 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 (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-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 HPGD 387/4885SMN1; SMN2 2031/4885USP2 2821/4885

“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.