SCHEMBL4074836

SCHEMBL4074836

CC(C)(C)[N+]1(C(=O)O)CCC(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
PMP22 Q01453 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
PLG P00747 1/20 0.33

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
SCHEMBL2578537 0.84 LMNA (0.36) LMNAGABRPGABRDGABRA1TSHR
SCHEMBL8084701 0.75
SCHEMBL24896549 0.70 PMP22 (0.44) LMNAGABRPGABRDGABRA1TSHR
SCHEMBL18131930 0.70
Iodide SCHEMBL26096272 0.69 PMP22 (0.42) LMNAGABRPGABRDGABRA1TSHR
Iodide SCHEMBL29262460 0.69 PMP22 (0.42) LMNAGABRPGABRDGABRA1TSHR
SCHEMBL30919456 0.69 PMP22 (0.42) LMNAGABRPGABRDGABRA1TSHR
Pivalate SCHEMBL27908358 0.67 LMNA (0.46) LMNAGABRPGABRDGABRA1TSHR
Cyclopropane Carboxylic Acid SCHEMBL21581961 0.66 TSHR (0.55) LMNAGABRPGABRDGABRA1TSHR
Methyl Alcohol SCHEMBL15536588 0.66 TSHR (0.55) LMNAGABRPGABRDGABRA1TSHR

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 47 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
WO-1995024194-A1 TREATMENT OF OBSESSIVE-COMPULSIVE DISORDERS WITH 5-HT2 ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1995-09-14 WO disclosed
EP-0363963-B1 Piperidinyl benzimidazoles as antihistamines MERRELL DOW PHARMA (US) 1995-04-26 EP 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-5182399-A Process for preparing piperidinyl benzimidazoles MERRELL DOW PHARMACEUTICALS INC. (US) 1993-01-26 US 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
EP-0363963-A1 Piperidinyl benzimidazoles as antihistamines MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-18 EP disclosed
US-4908372-A Antihistaminic piperidinyl benzimidazoles MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-13 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 (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 LMNA 2176/4885GABRP 51/4885GABRD 297/4885
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 LMNA 2060/4885GABRP 67/4885GABRD 337/4885
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 LMNA 3934/4885GABRP 240/4885GABRD 865/4885
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 LMNA 2577/4885GABRP 48/4885GABRD 730/4885

“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.