SCHEMBL7250722

SCHEMBL7250722

COc1ccc(CCN2CC3CCC(C2)C3N(C)CCCNc2ccc(C#N)cc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.42
KMT2A Q03164 1/20 0.41
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EBP Q15125 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
DPP4 P27487 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
SCHEMBL7244532 0.93 KMT2A (0.45) MCHR1KMT2AHRH3DPP4
SCHEMBL6095711 0.86 MCHR1 (0.46) MCHR1DRD2DRD3EBPSIGMAR1
SCHEMBL5965403 0.81 MCHR1 (0.42) MCHR1KMT2ADRD2DRD3EBP
SCHEMBL7250046 0.81 MCHR1 (0.43) MCHR1KMT2AHRH3EBPSIGMAR1
SCHEMBL6989825 0.81 EBP (0.43) MCHR1EBPSIGMAR1TMEM97DPP4
SCHEMBL2961184 0.81 EBP (0.43) MCHR1KMT2ADRD2DRD3EBP
SCHEMBL5965719 0.80 SIGMAR1 (0.41) MCHR1KMT2AEBPSIGMAR1TMEM97
SCHEMBL7252435 0.78 KMT2A (0.44) MCHR1KMT2AHRH3
SCHEMBL7250864 0.78 HRH3 (0.38) KMT2ADRD3HRH3DPP4
SCHEMBL7248514 0.77 DRD2 (0.44) MCHR1DRD2DRD3HRH3SIGMAR1

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 2903/4885KMT2A 1280/4885DRD2 1770/4885

“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.