SCHEMBL3828540

SCHEMBL3828540

CNC(=O)c1ccc(OCCCCN2C[C@H]3C[C@H]3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
HTR2A P28223 1/20 0.55
PLK1 P53350 2/20 0.55
HRH3 Q9Y5N1 3/20 0.53
KDM4E B2RXH2 5/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
TBXAS1 P24557 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3824679 0.96 HRH3 (0.57) HTR1ADRD2HTR2APLK1HRH3
SCHEMBL1979469 0.93 HRH3 (0.59) HTR1ADRD2HTR2APLK1HRH3
SCHEMBL2025211 0.89 HRH3 (0.64) HTR1ADRD2HTR2APLK1HRH3
Hydrochloric Acid SCHEMBL1977487 0.88 HRH3 (0.62) HTR1ADRD2HTR2APLK1HRH3
SCHEMBL4495175 0.86 HRH3 (0.68) HTR1ADRD2HTR2APLK1HRH3
SCHEMBL14241012 0.86 HRH3 (0.72) HTR1ADRD2HTR2APLK1HRH3
SCHEMBL4486197 0.86 HRH3 (0.72) HTR1ADRD2HTR2APLK1HRH3
SCHEMBL3828820 0.83 HRH3 (0.74) HRH3KDM4EKMT2AHTTALDH1A1
SCHEMBL4465038 0.82 HRH3 (0.53) HRH3KDM4EKMT2AHTTALDH1A1
SCHEMBL3824026 0.82 KDM4E (0.64) DRD2HRH3KDM4EKMT2AHTT

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 3 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
EP-2133333-A1 New azabicyclic derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-12-16 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-20090312389-A1 Azabicylic compounds, a process for their preparation and pharmaceutical compositions containing them CHAT, MAOB, ALKBH2 HTR1A 34/4885DRD2 167/4885HTR2A 32/4885

“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.