SCHEMBL1972057

SCHEMBL1972057

CC(C)(C)OC(=O)N(CCO)C1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.44
SLC6A2 P23975 19/20 0.44
SLC6A3 Q01959 12/20 0.44
CYP2D6 P10635 5/20 0.44
KCNH2 Q12809 3/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL1972054 1.00 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL15358205 0.92 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL20674336 0.91 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL34474774 0.89 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL12347236 0.89 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1867864 0.87 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1867866 0.87 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1868919 0.87 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL13739438 0.86 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL2237137 0.86 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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 (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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 SLC6A4 4603/4885SLC6A2 4818/4885SLC6A3 4799/4885

“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.