SCHEMBL7246148

SCHEMBL7246148

CN(C(=O)Nc1ccc(F)c(F)c1)C1C2CCC1CN(CCCS(=O)(=O)c1ccc(C#N)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.40
CCR5 P51681 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7248521 0.88 MCHR1 (0.41) MCHR1CCR5KCNH2CYP2C19POLB
SCHEMBL7242827 0.86 CCR6 (0.44) MEN1KMT2A
SCHEMBL7243596 0.84 KCNA5 (0.45) MCHR1CCR5KCNH2POLBMEN1
SCHEMBL6097322 0.83 GRIN2B (0.41) MCHR1POLB
SCHEMBL7243888 0.81 HTR7 (0.40) CCR5MEN1
SCHEMBL7246992 0.81 HRH2 (0.38) CCR5
SCHEMBL7245277 0.80 POLB (0.45) POLB
SCHEMBL7248411 0.79 IDH1 (0.35) CCR5
SCHEMBL7250524 0.79 KCNH2 (0.44) CCR5KCNH2POLBMEN1KMT2A
SCHEMBL7250475 0.78 ALDH1A1 (0.39) MCHR1CCR5KCNH2

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
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1244631-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-10-02 EP disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001047893-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-07-05 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-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 MCHR1 2903/4885CCR5 3571/4885KCNH2 2/4885

“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.