SCHEMBL6183369

SCHEMBL6183369

Cc1noc(-c2c(F)cccc2-c2ccc([C@@H](C)NC(=O)O)c(F)c2)n1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.70
NPY2R P49146 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL6480135 1.00 BDKRB1 (0.70) BDKRB1NPY2RHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL6187618 0.86 BDKRB1 (0.73) BDKRB1
SCHEMBL6181950 0.83 BDKRB1 (1.00) BDKRB1
Hydrochloric Acid SCHEMBL6184751 0.82 BDKRB1 (0.55) BDKRB1HCRTR1HCRTR2
SCHEMBL6185032 0.81 BDKRB1 (0.80) BDKRB1
SCHEMBL3534819 0.75 BDKRB1 (0.55) BDKRB1
SCHEMBL20437900 0.70 ACHE (0.49) BDKRB1NPY2R
SCHEMBL1586134 0.70 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1586661 0.68 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL17071971 0.68 HCRTR1 (0.54) BDKRB1HCRTR1HCRTR2

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 4 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
US-20030220375-A1 N-biphenyl(substituted methyl) aminocycloalkane-carboxamide derivatives MERCK SHARP & DOHME LLC 2003-11-27 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 (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 1/4885NPY2R 388/4885HCRTR1 420/4885
US-20050084463-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives with a substiituent on the methyl useful as bradykinin antagonists BDKRB1, BDKRB2, CNR2 BDKRB1 1/4885NPY2R 438/4885HCRTR1 569/4885

“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.