SCHEMBL12501643

SCHEMBL12501643

Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@@H]3NC(=O)C2(C(N)=O)CC2)no1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.83

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
SCHEMBL12501579 0.91 BDKRB1 (1.00) BDKRB1
SCHEMBL12501530 0.88 BDKRB1 (0.82) BDKRB1
SCHEMBL12501631 0.88 BDKRB1 (0.86) BDKRB1
SCHEMBL12501543 0.88 BDKRB1 (0.88) BDKRB1
SCHEMBL12501633 0.88 BDKRB1 (0.86) BDKRB1
SCHEMBL16242395 0.86 BDKRB1 (0.78) BDKRB1
SCHEMBL14575499 0.86 BDKRB1 (0.83) BDKRB1
SCHEMBL12501524 0.85 BDKRB1 (1.00) BDKRB1
SCHEMBL12501595 0.85 BDKRB1 (1.00) BDKRB1
SCHEMBL12501540 0.84 BDKRB1 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668155-B1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-11-26 EP claimed
EP-2668155-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP claimed
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 US claimed
WO-2012101011-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO claimed
EP-2668155-B1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2668155-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
US-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 US disclosed
WO-2012101011-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 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-20130018055-A1 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES CYP1A1, AHR, CYP1B1 BDKRB1 113/4885

“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.