SCHEMBL6325518

SCHEMBL6325518

CC1C2CNCC(C2)C(C)N1C[C@H](O)COc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
THRB P10828 1/20 0.46
AGER Q15109 1/20 0.45
KCNH2 Q12809 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL6325216 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL6329333 0.87 HRH2 (0.44) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL6327367 0.87 HRH2 (0.44) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL6095746 0.83 HRH2 (0.59) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL6095749 0.83 HRH2 (0.59) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL6332100 0.82 MEN1 (0.46) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL6326776 0.82 MEN1 (0.46) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL5965764 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPK1SMN1; SMN2
SCHEMBL6326862 0.81 MEN1 (0.52) ALDH1A1KDM4EMAPK1SMN1; SMN2HSD17B10
SCHEMBL6326790 0.81 MEN1 (0.52) ALDH1A1KDM4EMAPK1SMN1; SMN2HSD17B10

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-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2005-01-06 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-20050004113-A1 New bispidine compounds useful in the treatment of cardiac arrhythmias DRD2, ADRA1D, KCND2 ALDH1A1 2346/4885KDM4E 3129/4885HPGD 3054/4885

“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.