Sugi Predict

Sugi Predict / Compounds / SCHEMBL1991377

SCHEMBL1991377

SCHEMBL1991377

COc1cccc(OCC2CCN(CCc3ccc(F)cc3)CC2)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.62
▸ DRD1 P21728 4/20 0.62
▸ HTR2C P28335 4/20 0.62
▸ HRH1 P35367 4/20 0.62
▸ ADRA1B P35368 4/20 0.62
▸ HTR2B P41595 4/20 0.62
▸ DRD2 P14416 3/20 0.62
▸ GRM2 Q14416 3/20 0.62
▸ ADRA2B P18089 1/20 0.62
▸ OPRK1 P41145 1/20 0.62
▸ KCNQ1 P51787 1/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ TMEM97 Q5BJF2 1/20 0.62
▸ DRD4 P21917 3/20 0.56
▸ HRH2 P25021 3/20 0.56
▸ HTR1D P28221 3/20 0.56
▸ HTR1B P28222 3/20 0.56
▸ SLC6A4 P31645 3/20 0.56
▸ HTR7 P34969 3/20 0.56
▸ ADRA2C P18825 2/20 0.56

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
SCHEMBL8279384 0.84 HTR2A (0.62) HTR2ADRD1HTR2CHRH1ADRA1B
SCHEMBL5872192 0.79 HTR2A (0.61) HTR2ADRD1HTR2CHRH1ADRA1B
Volinanserin SCHEMBL29356737 0.77 HTR2B (1.00) HTR2ADRD1HTR2CHRH1ADRA1B
SCHEMBL4078621 0.77 HTR2A (1.00) HTR2ADRD1HTR2CHRH1ADRA1B
Volinanserin SCHEMBL675164 0.77 HTR2B (1.00) HTR2ADRD1HTR2CHRH1ADRA1B
Volinanserin SCHEMBL340674 0.77 HTR2B (1.00) HTR2ADRD1HTR2CHRH1ADRA1B
Volinanserin SCHEMBL4227186 0.77 HTR2B (1.00) HTR2ADRD1HTR2CHRH1ADRA1B
Volinanserin SCHEMBL30543449 0.77 HTR2B (1.00) HTR2ADRD1HTR2CHRH1ADRA1B
Volinanserin SCHEMBL13701277 0.77 HTR2B (1.00) HTR2ADRD1HTR2CHRH1ADRA1B
SCHEMBL16056381 0.77 KCNH2 (0.72) KCNH2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509585-A1 PROCESS AND PRODUCT Vectura Limited (GB) 2012-10-17 — — EP disclosed
WO-2011070361-A1 PROCESS AND PRODUCT VECTURA LIMITED (GB) 2011-06-16 — — WO disclosed
EP-1289527-B1 (+)-ALPHA-(2,3-DIMETHOXYPHENYL)-1(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL OR ITS PRODRUG TO TREAT DEMENTIA OR COGNITIVE IMPAIRMENT AVENTIS PHARMA INC (US) 2008-03-26 — — EP disclosed
EP-1192134-B1 PROCESSES FOR THE PREPARATION OF (R)-G(A)-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL AVENTIS PHARMA INC (US) 2007-09-19 — — EP disclosed
US-20050010051-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTIS PHARMACEUTICALS INC. (US) 2005-01-13 — — US disclosed
EP-1289527-A2 USE OF (+)-ALPHA -(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL OR ITS PRODRUG IN THE TREATMENT OF SYMPTOMS OF DEMENTIA AND DOPAMINE INDUCED PSYCHOSIS Aventis Pharmaceuticals Inc. (US) 2003-03-12 — — EP disclosed
US-20020151717-A1 Novel processes for the preparation or (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol AVENTISUB II INC. 2002-10-17 — — US disclosed
US-20020099076-A1 Use of (+)-a-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol or its prodrug in the treatment of symptoms of dementia and dopamine induced psychosis RICHARD SCHEYER D (US) 2002-07-25 — — US disclosed
EP-1192134-A2 PROCESSES FOR THE PREPARATION OF (R)-G(A)-(2,3-DIMETHOXYPHENYL)-1-(2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL Aventis Pharmaceuticals Inc. (US) 2002-04-03 — — EP disclosed
WO-2001089498-A2 USE OF (+)-α -(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL OR ITS PRODRUG IN THE TREATMENT OF SYMPTOMS OF DEMENTIA AND DOPAMINE INDUCED PSYCHOSIS AVENTIS PHARMA INC (US) 2001-11-29 — — WO disclosed
WO-1999046245-A2 PROCESSES FOR THE PREPARATION OF (R)-α- (2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AVENTIS PHARMACEUTICALS INC. (US) 1999-09-16 — — WO disclosed
EP-0888114-A1 USE OF (+)-$g(a)-(2,3-DIMETHOXYPHENYL)-1- 2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL IN TREATING DEPRESSIVE DISORDERS AND BIPOLAR DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 — — EP disclosed
WO-1997034603-A1 USE OF (+)-α-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL IN TREATING DEPRESSIVE DISORDERS AND BIPOLAR DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-09-25 — — WO disclosed
US-5134149-A Serotonin antagonist MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-28 — — 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 (3 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-20020151717-A1 Novel processes for the preparation or (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, ADRM1, CBR1 HTR2A 1865/4885DRD1 74/4885HTR2C 1368/4885
US-20020099076-A1 Use of (+)-a-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol or its prodrug in the treatment of symptoms of dementia and dopamine induced psychosis COMT, PNMT, DBH HTR2A 31/4885DRD1 13/4885HTR2C 34/4885
US-20050010051-A1 Novel processes for the preparation of (R)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol CYP2E1, CYP1A1, ADRM1 HTR2A 1477/4885DRD1 40/4885HTR2C 1273/4885

“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.