SCHEMBL5782255

SCHEMBL5782255

COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.66
SLC6A3 Q01959 3/20 0.44
SLC6A4 P31645 2/20 0.44
BRS3 P32247 2/20 0.43
CNR1 P21554 1/20 0.42
ACHE P22303 2/20 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
SCHEMBL14273893 0.85 HDAC1 (0.51) BDKRB1
SCHEMBL5783245 0.84 BDKRB1 (0.68) BDKRB1SLC6A3SLC6A4ACHE
SCHEMBL5782458 0.83 BDKRB1 (0.65) BDKRB1SLC6A3SLC6A4CNR1
SCHEMBL8958523 0.81 BDKRB1 (0.49) BDKRB1ACHE
SCHEMBL5924540 0.80 SLC6A3 (0.47) BDKRB1SLC6A3SLC6A4BRS3
SCHEMBL8958409 0.80 BDKRB1 (0.48) BDKRB1ACHE
SCHEMBL2338182 0.79 BDKRB1 (1.00) BDKRB1SLC6A3SLC6A4BRS3ACHE
SCHEMBL3109493 0.79 BDKRB1 (0.61) BDKRB1SLC6A3SLC6A4ACHE
SCHEMBL19033759 0.79 CYP2C19 (0.54)
SCHEMBL4400570 0.78 CTSB (0.56)

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 6 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
EP-1476419-A4 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES MERCK & CO INC (US) 2005-03-30 EP disclosed
EP-1476419-A2 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES Merck & Co., Inc. (US) 2004-11-17 EP disclosed
WO-2003065789-A2 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 2003-08-14 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-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.