SCHEMBL4076354

SCHEMBL4076354

COc1cccc(C2(C=O)CCNCC2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
DRD2 P14416 2/20 0.39
PDE4B Q07343 1/20 0.38
HTR3A P46098 2/20 0.37
HTR1A P08908 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFE2L2 Q16236 3/20 0.36
ALDH1A1 P00352 1/20 0.35
HTR2C P28335 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
PRMT1 Q99873 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL4071872 0.89 SIGMAR1 (0.43) SIGMAR1DRD2USP2CYP2D6NFE2L2
SCHEMBL9650053 0.87 SIGMAR1 (0.60) SIGMAR1DRD2HTR3AUSP2CYP2D6
SCHEMBL7209323 0.79 HSD11B1 (0.47) DRD2HTR1AALDH1A1HTR2C
SCHEMBL7620925 0.76 HSD11B1 (0.44) DRD2HTR1AHTR2C
SCHEMBL4597582 0.73 ALDH1A1 (0.34) HTR1AALDH1A1
SCHEMBL9650674 0.72 OPRM1 (0.51) SIGMAR1DRD2ALDH1A1HTR2CADRB1
SCHEMBL11919523 0.71 SIGMAR1 (0.44) SIGMAR1PDE4BALDH1A1
SCHEMBL10229942 0.69 OPRM1 (0.37) SIGMAR1DRD2SMN1; SMN2USP2CYP2D6
Formaldehyde SCHEMBL9556537 0.69 SIGMAR1 (0.43) SIGMAR1DRD2HTR3AHTR1AUSP2
SCHEMBL4071874 0.69 SIGMAR1 (0.43) SIGMAR1DRD2HTR3AHTR1AUSP2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362589-B1 Use of R(+)-alpha-(2,3-dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-4- piperidinemethanol for the treatment of sleep disorders AVENTIS PHARMA INC (US) 2009-07-15 EP disclosed
EP-1937265-A2 COMINATION OF A HYPNOTIC AGENT AND R(+)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENL)ETHYL]-4-PIPERIDINEMETHANOL AND THERAPEUTIC APPLICATION THEREOF Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-20080139615-A1 COMBINATION OF A HYPNOTIC AGENT AND R (+)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US 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
WO-2007024599-A2 COMINATION OF A HYPNOTIC AGENT AND R(+)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENL)ETHYL]-4-PIPERIDINEMETHANOL AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 WO disclosed
US-7132433-B2 Use of (+)-α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4- piperidinemethanol or its prodrug in the treatment of behavioral or psychological symptoms associated with a disease AVENTIS PHARMACEUTICALS INC. (US) 2006-11-07 US disclosed
US-20050272773-A1 Use of R (+)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-flurophenyl)-ethyl]-4- piperidinemethanol for the treatment of sleep disorders and process for making pharmaceutical composition AVENTIS PHARMACEUTICALS INC. (US) 2005-12-08 US disclosed
US-6939879-B2 Use of R (+)-α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol for the treatment of substance induced insomnia AVENTIS PHARMACEUTICALS INC. (US) 2005-09-06 US disclosed
US-20040204457-A1 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. 2004-10-14 US disclosed
US-20040002516-A1 Use of R (+)-alpha-(2,3-Dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol for the treatment of sleep disorders AVENTIS PHARMACEUTICALS INC. 2004-01-01 US disclosed
EP-0796619-A1 Use of (+)-alpha-(2,3-dimethoxyphenyl)-1-(2-(4-fluorophenyl)ethyl)-4-piperidinemethanol in treating depressive disorders and bipolar disorders MERRELL PHARMACEUTICALS INC. (US) 1997-09-24 EP disclosed
US-5618824-A ADMINISTERING N-ARALKYL PIPERIDINEMETHANOL DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1997-04-08 US disclosed
EP-0749309-A1 TREATMENT OF OBSESSIVE-COMPULSIVE DISORDERS WITH 5-HT 2? ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1996-12-27 EP disclosed
US-5561144-A TREATMENT OF SCHIZOPHRENIA MERRELL PHARMACEUTICALS INC. (US) 1996-10-01 US disclosed
WO-1995024194-A1 TREATMENT OF OBSESSIVE-COMPULSIVE DISORDERS WITH 5-HT2 ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1995-09-14 WO disclosed
EP-0531410-B1 (+)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL MERRELL DOW PHARMA (US) 1994-11-30 EP disclosed
EP-0531410-A4 (+)--G(A)-(2,3-DIMETHOXYPHENYL)-1- 2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL 1993-05-26 EP disclosed
EP-0531410-A1 (+)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL. MERRELL DOW PHARMA (US) 1993-03-17 EP disclosed
US-5134149-A Serotonin antagonist MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-28 US disclosed
WO-1991018602-A1 (+)-α-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 WO 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 (4 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-20040002516-A1 Use of R (+)-alpha-(2,3-Dimethoxyphenyl)-1-[2-(4-fluorophenyl) ethyl]-4-piperidinemethanol for the treatment of sleep disorders PNMT, HCRTR2, EBP SIGMAR1 308/4885DRD2 6/4885PDE4B 612/4885
US-20050272773-A1 Use of R (+)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-flurophenyl)-ethyl]-4- piperidinemethanol for the treatment of sleep disorders and process for making pharmaceutical composition OPRD1, EBP, ADRA1D SIGMAR1 201/4885DRD2 8/4885PDE4B 401/4885
US-20040204457-A1 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 COMT, PNMT, DBH SIGMAR1 340/4885DRD2 4/4885PDE4B 332/4885
US-20080139615-A1 COMBINATION OF A HYPNOTIC AGENT AND R (+)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL AND THERAPEUTIC APPLICATION THEREOF HCRTR2, OPRD1, HCRTR1 SIGMAR1 35/4885DRD2 11/4885PDE4B 968/4885

“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.