SCHEMBL2879490

SCHEMBL2879490

CC(C)(C)c1ccc(CCCN)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.58
SIGMAR1 Q99720 5/20 0.51
TAAR1 Q96RJ0 1/20 0.47
LMNA P02545 1/20 0.46
HTR2A P28223 2/20 0.45
ESRRG P62508 2/20 0.45
MAOA P21397 1/20 0.45
MITF O75030 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
GRIA4 P48058 1/20 0.42

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
SCHEMBL20748225 0.94 KCNH2 (0.61) KCNH2SIGMAR1TAAR1LMNAHTR2A
SCHEMBL10666169 0.92 KCNH2 (0.59) KCNH2SIGMAR1TAAR1LMNAHTR2A
SCHEMBL716077 0.86 TAAR1 (0.61) KCNH2SIGMAR1TAAR1HTR2AESRRG
SCHEMBL31573982 0.86 KCNH2 (0.67) KCNH2SIGMAR1LMNAESRRGMITF
Hydrochloric Acid SCHEMBL14157254 0.84 TAAR1 (0.59) KCNH2TAAR1HTR2AESRRG
SCHEMBL23393840 0.84 KCNH2 (0.51) KCNH2SIGMAR1ESRRG
SCHEMBL4949030 0.83 TAAR1 (0.44) KCNH2SIGMAR1TAAR1HTR2AMAOA
SCHEMBL7456580 0.81 KCNH2 (0.59) KCNH2SIGMAR1LMNAESRRGGRIA4
SCHEMBL15125588 0.81 MAOB (0.63) KCNH2TAAR1HTR2AESRRG
SCHEMBL3678682 0.81 MAOA (0.62) TAAR1HTR2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US disclosed
CN-101573341-A Imidazolidinone Kv1.5 potassium channel inhibitors WYETH CORP (US) 2009-11-04 CN disclosed
EP-2035392-A1 IMIDAZOLE KV1. 5 POTASSIUM CHANNEL INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP disclosed
US-7504517-B2 Kv1.5 potassium channel inhibitors WYETH (US) 2009-03-17 US disclosed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US disclosed
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US disclosed
WO-2007149874-A1 IMIDAZOLIDINONE KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 WO disclosed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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 (3 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-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 KCNH2 3/4885SIGMAR1 4450/4885TAAR1 1446/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 KCNH2 3/4885SIGMAR1 4450/4885TAAR1 1446/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 KCNH2 1118/4885SIGMAR1 4084/4885TAAR1 3783/4885

“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.