SCHEMBL7248394

SCHEMBL7248394

COc1ccc(C(=O)CN(C)C2C3CCC2CN(CCCS(=O)(=O)c2ccc(C#N)cc2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 7/20 0.43
HRH1 P35367 7/20 0.43
CCR6 P51684 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL6095214 0.85 GRIN2B (0.52) HRH2HRH1CCR6GRIN1GRIN2B
SCHEMBL7246408 0.85 HRH2 (0.41) HRH2HRH1CCR6GRIN1GRIN2B
SCHEMBL7251183 0.84 NPC1 (0.42) HRH2HRH1HTTNPSR1ALDH1A1
SCHEMBL7242827 0.82 CCR6 (0.44) HRH2HRH1CCR6GRIN2BMEN1
SCHEMBL7246880 0.82 HRH2 (0.37) HRH2HRH1MEN1HRH3
SCHEMBL7245472 0.80 KDM1A (0.37) HRH2HRH1HRH3
SCHEMBL7249987 0.80 L3MBTL1 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL2962889 0.79 GRIN2B (0.45) HRH2HRH1GRIN1GRIN2BMEN1
SCHEMBL7243888 0.79 HTR7 (0.40) HRH2HRH1MEN1HRH3
SCHEMBL7248462 0.79 HRH3 (0.39) HRH2HRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030096993-A1 Stabilizer mixture CIBA SPECIALTY CHEMICALS CORP. 2003-05-22 US disclosed
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 (2 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-20030096993-A1 Stabilizer mixture GSR, GLRA1, GLRA2 HRH2 381/4885HRH1 661/4885CCR6 2031/4885
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 HRH2 321/4885HRH1 367/4885CCR6 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.