SCHEMBL4461877

SCHEMBL4461877

c1ccc(C(c2ccccc2)N(c2ccccn2)c2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 3/20 0.48
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CHRM2 P08172 2/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ALDH1A1 P00352 5/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 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
SCHEMBL14813491 0.78 POLB (0.39) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL13338372 0.77 CYP2D6 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL14813489 0.77 CYP2D6 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL13338416 0.75 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL17070034 0.74 CYP2D6 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL11701431 0.74 CYP2D6 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL17070038 0.72 CYP2D6 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL28679009 0.72 POLB (0.44) ALDH1A1LMNAPOLBCYP1A2P4HTM
SCHEMBL11697724 0.72 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL2289138 0.72 CYP2D6 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 SLC6A2 254/4885SLC6A4 438/4885SLC6A3 634/4885

“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.