SCHEMBL7028285

SCHEMBL7028285

CCS(=O)(=O)CCCN1CC2CC(C1)CN(CCCS(=O)(=O)c1ccc(C#N)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
HRH2 P25021 4/20 0.37
HRH1 P35367 4/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LOX P28300 1/20 0.34
GRIA2 P42262 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL6095700 0.90 HRH3 (0.42) CYP19A1HRH2HRH1HRH3HTR7
SCHEMBL2963106 0.87 KCNH2 (0.41) CYP19A1HRH2HRH1HRH3HTR7
SCHEMBL6996965 0.87 SIGMAR1 (0.41) CYP19A1HRH2HRH1HRH3HTR7
SCHEMBL5965627 0.85 HRH2 (0.37) CYP19A1HRH2HRH1HRH3HTR7
SCHEMBL7035035 0.84 MEN1 (0.39) HRH2HRH1HRH3GRIA2KCNH2
SCHEMBL6989155 0.84 HRH3 (0.48) HRH2HRH1HRH3
SCHEMBL7033710 0.83 HRH2 (0.38) CYP19A1HRH2HRH1HRH3HTR7
SCHEMBL7033675 0.82 HRH2 (0.37) CYP19A1HRH2HRH1ALDH1A1CYP3A4
SCHEMBL6990862 0.82 THRB (0.43) HRH2HRH1HRH3HTR7CYP2C9
SCHEMBL6997428 0.81 DRD2 (0.41) HRH2HRH1HTR7HTR6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E CYP19A1 1629/4885HRH2 229/4885HRH1 322/4885

“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.