SCHEMBL5528947

SCHEMBL5528947

O=[C]N1CCN(CCOCCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
HTR2A P28223 3/20 0.43
HTR2B P41595 3/20 0.43
CHRM2 P08172 2/20 0.43
ADRA2A P08913 2/20 0.43
DRD2 P14416 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
DRD4 P21917 2/20 0.43
HRH2 P25021 2/20 0.43
HTR7 P34969 2/20 0.43
ADRA1A P35348 2/20 0.43
HRH1 P35367 2/20 0.43
DRD3 P35462 2/20 0.43
OPRK1 P41145 2/20 0.43
HTR6 P50406 2/20 0.43
KCNH2 Q12809 2/20 0.43
ABCB11 O95342 1/20 0.43
HTR5A P47898 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL8966405 0.84
SCHEMBL4905012 0.84 HTR1A (0.54) HTR1AHTR2AHTR2BCHRM2ADRA2A
SCHEMBL31305372 0.82 MEN1 (0.55) HTR1AHTR2AHTR2BCHRM2ADRA2A
SCHEMBL31305373 0.82 MEN1 (0.55) HTR1AHTR2AHTR2BCHRM2ADRA2A
SCHEMBL1306553 0.80 MEN1 (0.35) HTR1AHTR2ACHRM2ADRA2ADRD2
SCHEMBL3431530 0.80 HTR1A (0.51) HTR1AHTR2AHTR2BCHRM2ADRA2A
SCHEMBL2087116 0.80 ALDH1A1 (0.46) DRD2DRD3CYP2D6NSD2PABPC1
SCHEMBL3431529 0.79 HTR1A (0.47) HTR1AHTR2AHTR2BCHRM2ADRA2A
SCHEMBL6848264 0.77 HRH3 (0.33) HTR1AUSP2KDM4EALDH1A1
SCHEMBL1097993 0.76 HTR1A (0.53) HTR1AHTR2AHTR2BCHRM2ADRA2A

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-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 HTR1A 158/4885HTR2A 561/4885HTR2B 737/4885

“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.