SCHEMBL13701274

SCHEMBL13701274

COc1cccc(C(=O)C2CCN(CCc3ccc(C)cc3)CC2)c1OC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.84
GRM2 Q14416 3/20 0.84
HTR2B P41595 6/20 0.80
HTR7 P34969 6/20 0.80
HTR2C P28335 6/20 0.80
HTR1A P08908 4/20 0.80
DRD1 P21728 4/20 0.80
HRH1 P35367 4/20 0.80
ADRA2C P18825 3/20 0.80
DRD4 P21917 3/20 0.80
HRH2 P25021 3/20 0.80
HTR1B P28222 3/20 0.80
SLC6A4 P31645 3/20 0.80
HTR5A P47898 2/20 0.80
OPRM1 P35372 1/20 0.80
HRH3 Q9Y5N1 1/20 0.80
HTR1D P28221 4/20 0.69
DRD2 P14416 2/20 0.69
ADRA1B P35368 2/20 0.69
ADRA2A P08913 1/20 0.69

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
SCHEMBL4078621 0.92 HTR2A (1.00) HTR2AGRM2HTR2BHTR7HTR2C
Hydrochloric Acid SCHEMBL4072830 0.91 HTR2A (0.98) HTR2AGRM2HTR2BHTR7HTR2C
SCHEMBL22118461 0.82 HTR2A (0.83) HTR2AGRM2HTR2BHTR7HTR2C
SCHEMBL5968621 0.82 HTR2A (1.00) HTR2AGRM2HTR2BHTR7HTR2C
SCHEMBL5968525 0.81 HTR2A (0.79) HTR2AGRM2HTR2BHTR7HTR2C
SCHEMBL13337601 0.77 HTR2B (0.84) HTR2AGRM2HTR2BHTR7HTR2C
SCHEMBL4232496 0.76 HSD11B1 (0.64) HTR2AGRM2HTR2BHTR7HTR2C
SCHEMBL14205445 0.75 ALDH1A1 (0.64) HTR2AGRM2HTR2BHTR7HTR2C
SCHEMBL13701275 0.74 HTR2A (0.71) HTR2AGRM2HTR2BHTR7HTR2C
SCHEMBL13701285 0.74 HTR2A (0.58) HTR2AGRM2HTR2BHTR7HTR2C

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-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

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-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 781/4885HTR2B 1312/4885

“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.