SCHEMBL6733200

SCHEMBL6733200

CC(C)NC(=O)N1CC2CC(CN(CC(COc3ccc(C#N)cc3)N(C)C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
KCNH2 Q12809 1/20 0.37
GPR119 Q8TDV5 2/20 0.35
MMP2 P08253 5/20 0.35
MMP3 P08254 4/20 0.35
AR P10275 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
CHRNA7 P36544 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL6737490 0.85 KCNH2 (0.41) KDM1AKCNH2MMP2MMP3GRIN1
SCHEMBL6737941 0.82 KCNH2 (0.52) KCNH2
SCHEMBL6737171 0.82 KCNH2 (0.52) KCNH2
SCHEMBL6743285 0.81 KCNH2 (0.43) KDM1AKCNH2MMP2MMP3GRIN1
SCHEMBL6743295 0.77 KCNH2 (0.49) KDM1AKCNH2
SCHEMBL6737542 0.76 KCNH2 (0.37) KCNH2GPR119EGLN2CHRNA7HRH2
SCHEMBL6741109 0.76 KCNH2 (0.51) KDM1AKCNH2MMP2MMP3
SCHEMBL6739759 0.75 GPR119 (0.35) KCNH2GPR119ARGRIN1GRIN2B
SCHEMBL6622413 0.75 KCNH2 (0.48) KCNH2GPR119EGLN2
SCHEMBL29388816 0.75 KCNH2 (0.48) KCNH2GPR119EGLN2

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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D KDM1A 4132/4885KCNH2 13/4885GPR119 1522/4885

“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.