SCHEMBL173133

SCHEMBL173133

COC1CCC2CCC1CCN(C)C2

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM1 P11229 1/20 0.31
MRGPRX2 Q96LB1 1/20 0.30

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
SCHEMBL173137 0.85 SIGMAR1 (0.31) MRGPRX2
SCHEMBL96599 0.78 CHRNB2 (0.37)
SCHEMBL173122 0.78 MCHR1 (0.34) MRGPRX2
SCHEMBL13394400 0.78 MCHR1 (0.34) MRGPRX2
SCHEMBL13570036 0.78 CHRNB2 (0.31)
SCHEMBL173162 0.78 CHRNB2 (0.31)
SCHEMBL173130 0.77 CHRNB2 (0.33)
SCHEMBL173127 0.74 SIGMAR1 (0.31) MRGPRX2
SCHEMBL13394410 0.74 SIGMAR1 (0.31) MRGPRX2
SCHEMBL96792 0.73 KDM4E (0.35)

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 9 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-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

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 CHRM2 3726/4885MEN1 547/4885CYP2D6 220/4885
US-20100099678-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PMP22, CNR2, COQ8A CHRM2 3726/4885MEN1 547/4885CYP2D6 220/4885
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders PMP22, CNR2, COQ8A CHRM2 3726/4885MEN1 547/4885CYP2D6 220/4885

“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.