SCHEMBL6370243

SCHEMBL6370243

[CH]1CCCC[C@@H]1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
GRM5 P41594 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2A13 Q16696 1/20 0.32
HPGD P15428 1/20 0.32
MCOLN3 Q8TDD5 2/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
USP2 O75604 1/20 0.30
MAPT P10636 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
KCNA5 P22460 1/20 0.30
SCN5A Q14524 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL736704 1.00 L3MBTL1 (0.39) L3MBTL1GRM5L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL738007 0.94 L3MBTL1 (0.40) L3MBTL1GRM5L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL736051 0.87 L3MBTL1 (0.44) L3MBTL1GRM5L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL735235 0.82 CYP2D6 (0.33) L3MBTL1L3MBTL3
SCHEMBL739014 0.80 CYP2D6 (0.32) L3MBTL1L3MBTL3
SCHEMBL737923 0.80 CYP2D6 (0.32) L3MBTL1L3MBTL3
SCHEMBL736026 0.80 CYP2D6 (0.32) L3MBTL1L3MBTL3
SCHEMBL9789988 0.80 L3MBTL1 (0.41) L3MBTL1GRM5L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL206897 0.78 CYP2D6 (0.33) L3MBTL1L3MBTL3
SCHEMBL4159670 0.78 CYP2D6 (0.33) L3MBTL1L3MBTL3

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-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-01-13 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-20050009733-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a potassium ion channel modulator for the treatment of central nervous system damage KCNJ2, KCNN2, KCNK2 L3MBTL1 4530/4885GRM5 210/4885L3MBTL3 4559/4885

“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.