SCHEMBL7250475

SCHEMBL7250475

CN(C(=O)Nc1ccc(F)c(F)c1)C1C2CCC1CN(C[C@H](N)COc1ccc(C#N)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CCR5 P51681 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
MCHR1 Q99705 11/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL7250524 0.91 KCNH2 (0.44) ALDH1A1CCR5GAASMN1; SMN2KCNH2
SCHEMBL7257279 0.88 KCNA5 (0.44) ALDH1A1CCR5JAK2JAK3MCHR1
SCHEMBL7249989 0.88 CCR5 (0.38) ALDH1A1CCR5JAK2JAK3MCHR1
SCHEMBL7243596 0.87 KCNA5 (0.45) ALDH1A1CCR5MCHR1KCNH2
SCHEMBL7249993 0.84 CCR5 (0.38) ALDH1A1CCR5MCHR1GAASMN1; SMN2
SCHEMBL6095709 0.83 GRIN2B (0.44) ALDH1A1TRPV4GAASMN1; SMN2
SCHEMBL7248380 0.82 KCNH2 (0.39) ALDH1A1CCR5KCNH2
SCHEMBL7244454 0.81 KCNH2 (0.38) ALDH1A1KCNH2
SCHEMBL7248521 0.81 MCHR1 (0.41) CCR5MCHR1KCNH2
SCHEMBL7243515 0.80 MGLL (0.44) ALDH1A1TRPV4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 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 (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 ALDH1A1 315/4885CCR5 3571/4885JAK2 4695/4885

“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.