SCHEMBL13701285

SCHEMBL13701285

COc1cccc(C(=O)C2CCN(B(C)O)CC2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.58
GRM2 Q14416 3/20 0.58
HSD11B1 P28845 2/20 0.56
HTR1A P08908 4/20 0.48
HTR7 P34969 4/20 0.48
HTR2B P41595 4/20 0.48
HTR2C P28335 3/20 0.48
HTR1D P28221 3/20 0.48
ADRA2C P18825 2/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48
HRH2 P25021 2/20 0.48
HTR1B P28222 2/20 0.48
SLC6A4 P31645 2/20 0.48
HRH1 P35367 2/20 0.48
HTR5A P47898 2/20 0.48
ADRA2A P08913 1/20 0.48
DRD2 P14416 1/20 0.48
DRD5 P21918 1/20 0.48
ADRA1A P35348 1/20 0.48

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
SCHEMBL4232496 0.82 HSD11B1 (0.64) HTR2AGRM2HSD11B1HTR1AHTR7
SCHEMBL4236994 0.78 HTR2A (0.55) HTR2AGRM2HSD11B1HTR1AHTR7
SCHEMBL4070767 0.77 HSD11B1 (0.58) HTR2AGRM2HSD11B1HTR1AHTR7
Hydrochloric Acid SCHEMBL4236997 0.76 HTR2A (0.54) HTR2AGRM2HSD11B1HTR1AHTR7
SCHEMBL13701274 0.74 HTR2A (0.84) HTR2AGRM2HSD11B1HTR1AHTR7
SCHEMBL13701275 0.74 HTR2A (0.71) HTR2AGRM2HSD11B1HTR1AHTR7
SCHEMBL4078621 0.74 HTR2A (1.00) HTR2AGRM2HSD11B1HTR1AHTR7
Hydrochloric Acid SCHEMBL4072830 0.73 HTR2A (0.98) HTR2AGRM2HSD11B1HTR1AHTR7
SCHEMBL13701284 0.72 HTR2B (0.58) HTR2AHTR7HTR2BHTR2CHTR1D
SCHEMBL25049623 0.71 CBX7 (0.75) HTR2AGRM2HSD11B1ALDH1A1HTT

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-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-10 US disclosed
US-7332607-B2 Processes for the preparation of (R)-α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS HOLDINGS INC. (US) 2008-02-19 US disclosed
US-20070265450-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 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 (2 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-20070265450-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL ADRM1, CYP2E1, OPRD1 HTR2A 1470/4885GRM2 587/4885HSD11B1 903/4885
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL CYP2E1, CYP1A1, ADRM1 HTR2A 1477/4885GRM2 781/4885HSD11B1 728/4885

“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.