SCHEMBL96768

SCHEMBL96768

COCCN1CCC2CCCC2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
HTR7 P34969 6/20 0.39
HTR1A P08908 4/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
GBA1 P04062 1/20 0.37
KDM2B Q8NHM5 1/20 0.35
KAT2B Q92831 1/20 0.35
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL13394402 1.00 HRH3 (0.44) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL17263959 0.96 HRH3 (0.48) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL21147732 0.95 HRH3 (0.47) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL21546331 0.95 HRH3 (0.47) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL21148138 0.95 HRH3 (0.47) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL13568869 0.92 HRH3 (0.40) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL96616 0.92 HRH3 (0.40) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL7740824 0.85 NPC1 (0.47) HRH3GBA1KDM1AALDH1A1
SCHEMBL96767 0.84 GBA1 (0.44) HRH3HTR7HTR1ADRD2HTR2A
SCHEMBL13394401 0.84 GBA1 (0.44) HRH3HTR7HTR1ADRD2HTR2A

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 8 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-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-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 HRH3 3735/4885HTR7 2097/4885HTR1A 1388/4885
US-20100099678-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PMP22, CNR2, COQ8A HRH3 3735/4885HTR7 2097/4885HTR1A 1388/4885
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders PMP22, CNR2, COQ8A HRH3 3735/4885HTR7 2097/4885HTR1A 1388/4885

“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.