SCHEMBL4863124

SCHEMBL4863124

CCOC(=O)N1CCCC(Br)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.53
▸ NOS3 P29474 1/20 0.49
▸ NOS2 P35228 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CHRM1 P11229 2/20 0.48
▸ TSHR P16473 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PKM P14618 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL27993011 0.93 GAA (0.62) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL18849447 0.81 GAA (0.57) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL4863171 0.81 GAA (0.57) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL15139530 0.81 GAA (0.57) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL13644031 0.79 GAA (0.56) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL4987475 0.79 GAA (0.60) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL2223429 0.79 TSHR (0.63) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL3635136 0.79 TSHR (0.63) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL2745877 0.79 — —
SCHEMBL23411500 0.78 HPGD (0.60) THRBALDH1A1KDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 — — US disclosed
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 — — US disclosed
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 — — US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 — — US disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 — — EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 — — 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 GAA 3452/4885L3MBTL1 2144/4885THRB 106/4885

“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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