SCHEMBL6182446

SCHEMBL6182446

COC(=O)c1c(F)cccc1-c1ccc(C(C)(C)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.46
BRS3 P32247 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MGLL Q99685 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
SCHEMBL14349181 0.76 SMN1; SMN2 (0.52) MEN1KMT2A
SCHEMBL29706678 0.76 BDKRB1 (0.57) BDKRB1MEN1KMT2A
SCHEMBL6184891 0.75 BDKRB1 (0.54) BDKRB1BRS3
SCHEMBL6481569 0.75 BDKRB1 (0.51) BDKRB1BRS3
SCHEMBL14375579 0.74 MEN1 (0.50) MEN1KMT2AMGLL
SCHEMBL6557650 0.74 SMN1; SMN2 (0.50) MEN1KMT2A
SCHEMBL6182357 0.74 AAK1 (0.50) MEN1KMT2A
SCHEMBL15362812 0.73 MEN1 (0.52) MEN1KMT2AMGLL
SCHEMBL6185817 0.73 BDKRB1 (0.65) BDKRB1
SCHEMBL6558932 0.72 SMN1; SMN2 (0.48) MEN1KMT2A

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
EP-1501787-B1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-6919343-B2 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives MERCK & CO., INC. (US) 2005-07-19 US disclosed
US-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists WOOD MICHAEL R (US) 2005-04-21 US disclosed
EP-1501787-A1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
US-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives MERCK SHARP & DOHME LLC 2003-11-27 US disclosed
WO-2003066577-A1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS 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 (2 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-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives BDKRB1, BDKRB2, CNR2 BDKRB1 1/4885BRS3 52/4885MEN1 2380/4885
US-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists BDKRB1, BDKRB2, CNR2 BDKRB1 1/4885BRS3 33/4885MEN1 2884/4885

“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.