SCHEMBL7250778

SCHEMBL7250778

COc1ccc(NC(=O)N(C)C2C3CCC2CN(CCCNc2ccc(C#N)cc2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.45
GRIN2B Q13224 1/20 0.44
CCR6 P51684 1/20 0.40
CCR3 P51677 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
MCHR1 Q99705 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7246185 0.88 KCNA5 (0.59) KCNA5GRIN2BCCR6SIRT2HRH2
SCHEMBL7242827 0.87 CCR6 (0.44) KCNA5GRIN2BCCR6SIRT2HRH2
SCHEMBL7248521 0.86 MCHR1 (0.41) CCR3CYP2C19POLBMCHR1MEN1
SCHEMBL7246408 0.84 HRH2 (0.41) KCNA5GRIN2BCCR6SIRT2HRH2
SCHEMBL7242815 0.84 CCR3 (0.41) CCR3HRH2HRH1CYP2D6HRH3
SCHEMBL7252505 0.84 CYP2D6 (0.41) CCR3HRH2HRH1CYP2D6HRH3
SCHEMBL7248205 0.84 CYP2D6 (0.39) CCR3HRH2HRH1CYP2D6HRH3
SCHEMBL7622894 0.83 SLC6A4 (0.42) KCNA5GRIN2BCCR6SIRT2JAK2
SCHEMBL7250259 0.83 HRH3 (0.42) CCR3HRH2HRH1CYP2D6HRH3
SCHEMBL7245444 0.83 CCR3 (0.41) CCR3HRH2HRH1CYP2D6HRH3

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 KCNA5 60/4885GRIN2B 1215/4885CCR6 2855/4885

“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.