SCHEMBL5783245

SCHEMBL5783245

CNC1(C(=O)NCc2ccc(-c3ccccc3C(=O)OC)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.68
SLC6A3 Q01959 4/20 0.51
SLC6A4 P31645 3/20 0.51
ACHE P22303 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SLC6A2 P23975 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
LTB4R2 Q9NPC1 2/20 0.45

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
SCHEMBL3109493 0.85 BDKRB1 (0.61) BDKRB1SLC6A3SLC6A4ACHEKDM4E
SCHEMBL5782374 0.84 BDKRB1 (0.60) BDKRB1SLC6A3SLC6A4ACHEKDM4E
SCHEMBL5782255 0.84 BDKRB1 (0.66) BDKRB1SLC6A3SLC6A4ACHE
SCHEMBL5782458 0.83 BDKRB1 (0.65) BDKRB1SLC6A3SLC6A4
SCHEMBL2338182 0.81 BDKRB1 (1.00) BDKRB1SLC6A3SLC6A4ACHEALDH1A1
SCHEMBL3264766 0.78 BDKRB1 (0.53) BDKRB1SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL2782748 0.78 CHRNB2 (0.59) BDKRB1SLC6A3SLC6A4CHRNB2CHRNB4
SCHEMBL5061628 0.77 SLC6A3 (0.61) BDKRB1SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL5924515 0.77 SLC6A3 (0.55) BDKRB1SLC6A3SLC6A4KDM4EALDH1A1
SCHEMBL3112718 0.76 SLC6A3 (0.69) BDKRB1SLC6A3SLC6A4KDM4ESLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091380-B2 N-biphenylmethyl aminocycloalkanecarboxamide derivatives MERCK & CO., INC. (US) 2006-08-15 US disclosed
EP-1476419-B1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES MERCK & CO INC (US) 2006-02-01 EP disclosed
US-20050085667-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2005-04-21 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 (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-20050085667-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885SLC6A3 3890/4885SLC6A4 2252/4885

“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.