SCHEMBL1807175

SCHEMBL1807175

CCCCC(OC(CCCC)c1ccccn1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.51
KCNH2 Q12809 1/20 0.51
CYP2D6 P10635 3/20 0.49
KCNE1 P15382 1/20 0.49
CYP1A2 P05177 2/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CHRM2 P08172 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
SCN5A Q14524 1/20 0.40
KCND3 Q9UK17 1/20 0.40

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
SCHEMBL7448738 0.95 KCNA5 (0.50) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL7452991 0.93 KCNA5 (0.49) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL7449955 0.93 KCNA5 (0.49) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL21742012 0.90 KCNA5 (0.49) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL7449241 0.89 KCNA5 (0.54) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL17616810 0.89 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL21742265 0.88 KCNA5 (0.50) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL21742059 0.87 KCNA5 (0.43) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL17616754 0.83 KCNA5 (0.45) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL7449942 0.82 TSHR (0.49) KCNA5KCNH2CYP2D6KCNE1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 US disclosed
EP-1461313-A1 HUMAN ADAM-10 INHIBITORS Exelixis, Inc. (US) 2004-09-29 EP disclosed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 WO disclosed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 KCNA5 2370/4885KCNH2 4384/4885CYP2D6 544/4885

“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.