SCHEMBL3824026

SCHEMBL3824026

COC(=O)c1ccc(OCCCN2C[C@H]3C[C@H]3C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HTT P42858 1/20 0.64
KMT2A Q03164 1/20 0.64
MAPT P10636 3/20 0.59
HRH3 Q9Y5N1 4/20 0.58
RAB9A P51151 1/20 0.54
HRH2 P25021 3/20 0.50
HRH1 P35367 3/20 0.50
DRD2 P14416 1/20 0.50
KCNH2 Q12809 1/20 0.49
MAOB P27338 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
ESRRB O95718 1/20 0.46
ESR1 P03372 1/20 0.46
ESRRG P62508 1/20 0.46

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
SCHEMBL1978634 0.92 HRH3 (0.65) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL4101085 0.88 KDM4E (0.66) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL4101087 0.88 KDM4E (0.66) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL4101089 0.88 KDM4E (0.66) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL3824679 0.86 HRH3 (0.57) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL3826442 0.85 HRH3 (0.62) KDM4EMEN1ALDH1A1HTTKMT2A
Hydrochloric Acid SCHEMBL3826903 0.84 HRH3 (0.61) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL3828655 0.84 HRH3 (0.81) KDM4EHRH3HRH2HRH1DRD2
SCHEMBL4292974 0.84 HRH3 (0.81) KDM4EHRH3HRH2HRH1DRD2
SCHEMBL3824760 0.83 HRH3 (0.57) KDM4EHRH3HRH2HRH1DRD2

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-7906547-B2 Azabicylic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-03-15 US disclosed
US-20090312389-A1 Azabicylic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-12-17 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-20090312389-A1 Azabicylic compounds, a process for their preparation and pharmaceutical compositions containing them CHAT, MAOB, ALKBH2 KDM4E 286/4885MEN1 4432/4885ALDH1A1 218/4885

“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.