SCHEMBL96789

SCHEMBL96789

COC1CCCN2CCCC1CC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.37
▸ CHRM1 P11229 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.33
▸ CHRM4 P08173 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL96440 0.89 CHRM2 (0.36) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL16386083 0.81 CHRM2 (0.36) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL15444947 0.81 CHRM2 (0.36) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL96778 0.77 CHRM2 (0.40) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL13570076 0.77 CHRM2 (0.40) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL96686 0.75 CHRM2 (0.55) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL9289352 0.75 CHRM2 (0.55) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL17465538 0.69 ALDH1A1 (0.44) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL15170714 0.68 — —
SCHEMBL173191 0.68 — —

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
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

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 3726/4885CHRM1 3794/4885MEN1 547/4885
US-20100099678-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PMP22, CNR2, COQ8A CHRM2 3726/4885CHRM1 3794/4885MEN1 547/4885
US-20090111813-A1 Dialkylamino alkyl esters of pivagabine as medicaments for the treatment of central nervous system disorders PMP22, CNR2, COQ8A CHRM2 3726/4885CHRM1 3794/4885MEN1 547/4885

“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.

Send feedback