SCHEMBL6327367

SCHEMBL6327367

CC1C2CNCC(C2)CN1CC(O)COc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KCNH2 Q12809 1/20 0.41
AGER Q15109 1/20 0.41
THRB P10828 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6329333 1.00 HRH2 (0.44) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL6325216 0.87 ALDH1A1 (0.48) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL6325518 0.87 ALDH1A1 (0.48) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL6738943 0.82 KDM4E (0.55) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL6623120 0.82 KDM4E (0.55) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL6619551 0.82 KDM4E (0.55) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL6327371 0.81 MEN1 (0.42) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6621037 0.81 KDM4E (0.54) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL6095746 0.80 HRH2 (0.59) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL6095749 0.80 HRH2 (0.59) HRH2HRH1HRH3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2005-01-06 US disclosed
EP-1192156-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-02-18 EP 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-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias DRD2, ADRA1D, KCND2 HRH2 119/4885HRH1 178/4885HRH3 134/4885

“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.