SCHEMBL13412394

SCHEMBL13412394

OC1CN2CCCCC1CCC2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 3/20 0.38
▸ MAN2B1 O00754 1/20 0.34
▸ CYP2D6 P10635 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CHRNA7 P36544 1/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL8758623 0.83 — —
SCHEMBL8758466 0.83 — —
SCHEMBL4528256 0.83 — —
SCHEMBL9267031 0.79 CHRNA7 (0.48) SLC18A3CYP2D6MEN1KMT2ALMNA
SCHEMBL1039747 0.79 — —
SCHEMBL66150 0.79 — —
SCHEMBL66151 0.79 — —
SCHEMBL21087936 0.79 — —
SCHEMBL71473 0.79 — —
SCHEMBL74513 0.79 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100099678-A1 DIALKYLAMINO ALKYL ESTERS OF PIVAGABINE AS MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PMP22, CNR2, COQ8A SLC18A3 405/4885MAN2B1 3746/4885CYP2D6 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.

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