SCHEMBL6182357

SCHEMBL6182357

CC(C)(NC(=O)OCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CTSS P25774 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.44
SYK P43405 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43

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 0.89 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL6557650 0.86 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL14375579 0.86 MEN1 (0.50) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL5106447 0.85 AAK1 (0.53) AAK1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6558932 0.84 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL15362812 0.83 MEN1 (0.52) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL16078350 0.82 AAK1 (0.49) AAK1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL5988158 0.82 PLAU (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16078342 0.81 SMN1; SMN2 (0.49) AAK1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL5673104 0.81 HPGD (0.53) MEN1KMT2ASMN1; SMN2HPGDCA12

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 AAK1 448/4885MEN1 2380/4885KMT2A 771/4885
US-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists BDKRB1, BDKRB2, CNR2 AAK1 533/4885MEN1 2884/4885KMT2A 457/4885

“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.