SCHEMBL2945249

SCHEMBL2945249

Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc(CN)c(F)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.67

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
SCHEMBL12476393 0.92 BDKRB1 (0.66) BDKRB1
SCHEMBL12476815 0.86 BDKRB1 (0.70) BDKRB1
SCHEMBL2947184 0.84 BDKRB1 (0.57) BDKRB1
SCHEMBL4960208 0.82 BDKRB1 (0.82) BDKRB1
SCHEMBL3615281 0.81 BDKRB1 (0.62) BDKRB1
SCHEMBL12477012 0.81 BDKRB1 (0.71) BDKRB1
SCHEMBL13213913 0.81 BDKRB1 (1.00) BDKRB1
SCHEMBL5360427 0.81 BDKRB1 (0.48) BDKRB1
SCHEMBL12476392 0.80 BDKRB1 (0.60) BDKRB1
SCHEMBL3627119 0.79 BDKRB1 (0.71) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893579-B1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK SHARP & DOHME (US) 2013-05-01 EP disclosed
EP-2396301-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS Jerini AG (DE) 2011-12-21 EP disclosed
US-7816380-B2 1-hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
WO-2010091876-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS JERINI AG (DE) 2010-08-19 WO disclosed
US-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2009-03-05 US disclosed
EP-1893579-A1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006132837-A1 l-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2006-12-14 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-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives BDKRB1, BDKRB2, HRH4 BDKRB1 1/4885

“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.