SCHEMBL97212

SCHEMBL97212

CC(C)(C)C(=O)NCCCC(=O)OCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 4/20 0.47
BRD4 O60885 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD4 P21917 6/20 0.44
DRD2 P14416 4/20 0.44
TNF P01375 2/20 0.43
GAA P10253 1/20 0.43
TLR2 O60603 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
SCHEMBL173142 0.94 LMNA (0.53) LMNAALDH1A1BRD4TDP1SMN1; SMN2
SCHEMBL173175 0.93 LMNA (0.52) LMNAALDH1A1BRD4TDP1SMN1; SMN2
SCHEMBL10223337 0.82 LMNA (0.72) LMNAALDH1A1SMN1; SMN2DRD4DRD2
SCHEMBL25590714 0.81 LMNA (0.66) LMNAALDH1A1DRD4DRD2GAA
SCHEMBL173141 0.80 LMNA (0.57) LMNAALDH1A1TDP1DRD4DRD2
SCHEMBL2698834 0.79 LMNA (0.62) LMNATDP1SMN1; SMN2DRD4DRD2
SCHEMBL10174955 0.78 ALDH1A1 (0.56) LMNAALDH1A1SMN1; SMN2TNFGAA
SCHEMBL24157410 0.78 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2TNFTLR2
SCHEMBL13891352 0.78 LMNA (0.51) LMNAALDH1A1SMN1; SMN2DRD4DRD2
SCHEMBL10259796 0.78 ALDH1A1 (0.47) ALDH1A1BRD4TDP1SMN1; SMN2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059008-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CENERX BIOPHARMA, INC. (US) 2012-03-08 US disclosed
US-20120059008-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CENERX BIOPHARMA, INC. (US) 2012-03-08 US disclosed
US-8080548-B2 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders CENERX BIOPHARMA, INC. (US) 2011-12-20 US disclosed
US-8080548-B2 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders CENERX BIOPHARMA, INC. (US) 2011-12-20 US disclosed
US-20100099678-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CENERX BIOPHARMA (US) 2010-04-22 US disclosed
US-20100099678-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CENERX BIOPHARMA (US) 2010-04-22 US disclosed
US-7632836-B2 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders CENERX BIOPHARMA, INC. (US) 2009-12-15 US disclosed
US-7632836-B2 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders CENERX BIOPHARMA, INC. (US) 2009-12-15 US disclosed
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders CENERX BIOPHARMA, INC. (US) 2009-04-30 US disclosed
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders CENERX BIOPHARMA, INC. (US) 2009-04-30 US disclosed
WO-2008066874-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS CENERX BIOPHARMA, INC. (US) 2008-06-05 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 (3 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-20120059008-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PMP22, CNR2, COQ8A LMNA 2409/4885ALDH1A1 2193/4885BRD4 2108/4885
US-20100099678-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PMP22, CNR2, COQ8A LMNA 2409/4885ALDH1A1 2193/4885BRD4 2108/4885
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders PMP22, CNR2, COQ8A LMNA 2409/4885ALDH1A1 2193/4885BRD4 2108/4885

“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.