SCHEMBL4193407

SCHEMBL4193407

O=C(O)C(c1cccc(Br)c1)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
GAA P10253 1/20 0.64
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNB2 P17787 1/20 0.50
SLC6A2 P23975 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CHRND Q07001 1/20 0.50
HPGD P15428 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MBTD1 Q05BQ5 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
SLC6A9 P48067 2/20 0.43
TSHR P16473 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
SCHEMBL2227113 0.81 LMNA (0.96) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL628330 0.81 LMNA (0.96) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL15081896 0.80 GAA (0.67) LMNAGAACHRNB2SLC6A2CHRNB4
SCHEMBL1808956 0.80 GAA (0.96) LMNAGAAHPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL15063253 0.80 LMNA (1.00) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL2554530 0.80 GAA (0.96) LMNAGAAHPGDALDH1A1MEN1
SCHEMBL628011 0.80 GAA (0.96) LMNAGAAHPGDALDH1A1MEN1
SCHEMBL15063248 0.80 GAA (0.96) LMNAGAAHPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL15063379 0.79 GAA (0.69) LMNAGAACHRNB2SLC6A2CHRNB4
Hydrochloric Acid SCHEMBL2988022 0.78 GAA (1.00) LMNAGAAHPGDALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP disclosed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 LMNA 815/4885GAA 3707/4885CHRNA1 360/4885

“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.