SCHEMBL22456770

SCHEMBL22456770

CC(C)N1CCCn2cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
CACNA2D1 P54289 1/20 0.35
ACHE P22303 1/20 0.33
GRM5 P41594 3/20 0.33
HRH3 Q9Y5N1 1/20 0.31
SOS1 Q07889 1/20 0.30
SOS2 Q07890 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL20940198 0.90 ACHE (0.35) SLC6A2CACNA2D1ACHEGRM5HRH3
SCHEMBL24026710 0.84 SLC6A2 (0.35) SLC6A2CACNA2D1ACHEKDM4ELMNA
SCHEMBL24026619 0.76 DHPS (0.36) SLC6A2CACNA2D1KDM4ELMNANPC1
SCHEMBL24026521 0.72 CACNA2D1 (0.36) SLC6A2CACNA2D1GRM5HRH3
SCHEMBL1938008 0.72 LMNA (0.34) SLC6A2CACNA2D1ACHEHRH3KDM4E
SCHEMBL11916069 0.69 ACHE (0.37) ACHEGRM5SOS1SOS2KDM4E
SCHEMBL24026854 0.69 NPC1 (0.41) SLC6A2CACNA2D1ACHEGRM5KDM4E
SCHEMBL24026789 0.68 SLC6A2 (0.39) SLC6A2CACNA2D1ACHEGRM5KDM4E
SCHEMBL22571215 0.68 HRH3 (0.39) GRM5HRH3KDM4ENPC1GAA
SCHEMBL21142674 0.67 MAPT (0.47) GRM5KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700890-B1 ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS SA (ES) 2021-11-17 EP disclosed
US-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-24 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-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNB2, CACNA1G SLC6A2 28/4885CACNA2D1 10/4885ACHE 253/4885

“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.