SCHEMBL13701291

SCHEMBL13701291

COc1cccc(C(O)C2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.68
HTR2A P28223 5/20 0.68
DRD1 P21728 4/20 0.68
HTR2C P28335 4/20 0.68
HRH1 P35367 4/20 0.68
ADRA1B P35368 3/20 0.68
DRD2 P14416 2/20 0.68
ADRA2B P18089 1/20 0.68
OPRK1 P41145 1/20 0.68
KCNQ1 P51787 1/20 0.68
KCNH2 Q12809 1/20 0.68
TMEM97 Q5BJF2 1/20 0.68
HTR1D P28221 4/20 0.57
HTR7 P34969 4/20 0.57
DRD4 P21917 3/20 0.57
HRH2 P25021 3/20 0.57
HTR1B P28222 3/20 0.57
SLC6A4 P31645 3/20 0.57
HTR6 P50406 2/20 0.57
ADRA2C P18825 2/20 0.57

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
SCHEMBL6024823 1.00 HTR2B (0.68) HTR2BHTR2ADRD1HTR2CHRH1
Volinanserin SCHEMBL29356737 0.81 HTR2B (1.00) HTR2BHTR2ADRD1HTR2CHRH1
Volinanserin SCHEMBL13701277 0.81 HTR2B (1.00) HTR2BHTR2ADRD1HTR2CHRH1
Volinanserin SCHEMBL30543449 0.81 HTR2B (1.00) HTR2BHTR2ADRD1HTR2CHRH1
Volinanserin SCHEMBL675164 0.81 HTR2B (1.00) HTR2BHTR2ADRD1HTR2CHRH1
Volinanserin SCHEMBL4227186 0.81 HTR2B (1.00) HTR2BHTR2ADRD1HTR2CHRH1
Volinanserin SCHEMBL340674 0.81 HTR2B (1.00) HTR2BHTR2ADRD1HTR2CHRH1
Volinanserin SCHEMBL8008450 0.81 HTR2B (0.90) HTR2BHTR2ADRD1HTR2CHRH1
Volinanserin SCHEMBL8008033 0.81 HTR2B (0.89) HTR2BHTR2ADRD1HTR2CHRH1
Volinanserin SCHEMBL29899671 0.80 HTR2B (0.98) HTR2BHTR2ADRD1HTR2CHRH1

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 6 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-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-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
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 HTR2B 1333/4885HTR2A 1470/4885DRD1 41/4885
US-20090227798-A1 NOVEL PROCESSES FOR THE PREPARATION OF (R)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL CYP2E1, CYP1A1, ADRM1 HTR2B 1312/4885HTR2A 1477/4885DRD1 40/4885

“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.