Sugi Predict

Sugi Predict / Compounds / SCHEMBL902452

SCHEMBL902452

SCHEMBL902452

CN(C)C(CC1(O)CCCCC1)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 8/20 0.52
▸ SLC6A4 P31645 7/20 0.52
▸ SLC6A3 Q01959 6/20 0.52
▸ OPRM1 P35372 2/20 0.52
▸ ESR1 P03372 2/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ AR P10275 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CHRM1 P11229 1/20 0.34

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
SCHEMBL8028845 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3OPRM1ESR1
SCHEMBL8028820 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3OPRM1ESR1
SCHEMBL4627006 0.86 OPRM1 (0.39) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL4632472 0.86 CHRNB2 (0.43) SLC6A2SLC6A4SLC6A3LMNAHRH3
SCHEMBL5086267 0.85 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3OPRM1ESR1
SCHEMBL4967524 0.84 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL2761798 0.84 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL902225 0.84 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Hydrochloric Acid SCHEMBL5091331 0.84 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3OPRM1ESR1
Hydrochloric Acid SCHEMBL3349919 0.82 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018146529-A1 A PROCESS FOR PREPARATION OF1-[2-(DIMETHYLAMINO)-1-(4-HYDROXYPHENYL) ETHYL]-CYCLOHEXANOL AND SALTS THEREOF R L FINECHEM PRIVATE LIMITED (IN) 2018-08-16 — — WO claimed
WO-2009084039-A2 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2009-07-09 — — WO claimed
EP-3684753-A1 A PROCESS FOR PREPARATION OF O-DESMETHYLTRAMADOL AND SALTS THEREOF R L Fine Chem Private Limited (IN) 2020-07-29 — — EP disclosed
WO-2019053494-A1 A PROCESS FOR PREPARATION OF O-DESMETHYLTRAMADOL AND SALTS THEREOF R L FINE CHEM PRIVATE LIMITED (IN) 2019-03-21 — — WO disclosed
WO-2018146529-A1 A PROCESS FOR PREPARATION OF1-[2-(DIMETHYLAMINO)-1-(4-HYDROXYPHENYL) ETHYL]-CYCLOHEXANOL AND SALTS THEREOF R L FINECHEM PRIVATE LIMITED (IN) 2018-08-16 — — WO disclosed
EP-2621891-A1 POLYMORPHS OF 4-[2-DIMETHYLAMINO-1-(1-HYDROXYCYCLOHEXYL)ETHYL]PHENYL 4-METHYLBENZOATE HYDROCHLORIDE, METHODS FOR PREPARING THE SAME AND USE OF THE SAME Shan Dong Luye Pharmaceutical Co., Ltd. (CN) 2013-08-07 — — EP disclosed
WO-2012140577-A1 MODIFIED RELEASE PHARMACEUTICAL COMPOSITIONS OF DESVENLAFAXINE LUPIN LIMITED (IN) 2012-10-18 — — WO disclosed
US-20120087986-A1 PHARMACEUTICAL FORMULATIONS COMPRISING DESVENLAFAXINE DR. REDDY'S LABORATORIES, INC. 2012-04-12 — — US disclosed
WO-2012041013-A1 POLYMORPHS OF 4-[2-DIMETHYLAMINO-1-(1-HYDROXYCYCLOHEXYL)ETHYL]PHENYL 4-METHYLBENZOATE HYDROCHLORIDE, METHODS FOR PREPARING THE SAME AND USE OF THE SAME SHAN DONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2012-04-05 — — WO disclosed
EP-2318354-A1 PROCESS FOR THE PREPARATION OF O-DESMETHYLVENLAFAXINE Generics [UK] Limited (GB) 2011-05-11 — — EP disclosed
EP-2262758-A2 O-DESMETHYLVENLAFAXINE SALTS Dr. Reddy's Laboratories Ltd. (IN) 2010-12-22 — — EP disclosed
EP-1165487-A1 DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME Sepracor Inc. (US) 2002-01-02 — — EP disclosed
EP-1135359-A1 DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME Sepracor Inc. (US) 2001-09-26 — — EP disclosed
EP-1135358-A1 DERIVATIVES OF (+)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME Sepracor Inc. (US) 2001-09-26 — — EP disclosed
WO-2001038293-A1 ETHERS OF O-DESMETHYL VENLAFAXINE WYETH (US) 2001-05-31 — — WO disclosed
WO-2000076956-A2 ENANTIOMERS OF N-DESMETHYL VENLAFAXINE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-21 — — WO disclosed
WO-2000076955-A1 ENANTIOMERS OF O-DESMETHYL VENLAFAXINE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-21 — — WO disclosed
WO-2000059851-A1 DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-10-12 — — WO disclosed
WO-2000032556-A1 DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-06-08 — — WO disclosed
WO-2000032555-A1 DERIVATIVES OF (+)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-06-08 — — 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 (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-20120087986-A1 PHARMACEUTICAL FORMULATIONS COMPRISING DESVENLAFAXINE SLC6A2, SLC6A4, VGF SLC6A2 1/4885SLC6A4 2/4885SLC6A3 7/4885

“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.