SCHEMBL7035199

SCHEMBL7035199

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.40
AGER Q15109 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
RAD52 P43351 1/20 0.38
CASP2 P42575 1/20 0.37
GLA P06280 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 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
SCHEMBL7035197 1.00 KCNH2 (0.47) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6740244 0.87 KCNH2 (0.52) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6737450 0.83 KCNH2 (0.52) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7032100 0.82 KDM4E (0.60) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6993777 0.82 KDM4E (0.60) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7032087 0.82 KDM4E (0.60) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6993770 0.82 KDM4E (0.60) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6989036 0.80 KCNH2 (0.37) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7036600 0.80 KCNH2 (0.37) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6740410 0.80 KCNH2 (0.49) KCNH2ALDH1A1KDM4EMEN1KMT2A

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 KCNH2 7/4885ALDH1A1 892/4885KDM4E 4058/4885

“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.