SCHEMBL4774484

SCHEMBL4774484

CN(C)CC(c1ccccc1)C1(O)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.75
SLC6A4 P31645 12/20 0.75
SLC6A3 Q01959 6/20 0.75
OPRM1 P35372 1/20 0.75
LMNA P02545 1/20 0.69
CNR1 P21554 1/20 0.69
HTR2A P28223 1/20 0.69
HRH1 P35367 1/20 0.69
HRH3 Q9Y5N1 1/20 0.69

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
Acetic Acid SCHEMBL10616820 0.94 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL12964960 0.89 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL10048248 0.87 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL16768875 0.86 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Desvenlafaxine SCHEMBL3277527 0.86 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL10772550 0.86 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Desvenlafaxine SCHEMBL34864 0.86 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Desvenlafaxine SCHEMBL34863 0.86 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL16768884 0.86 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL10614607 0.86 SLC6A2 (0.78) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112669-B1 PHENETHYLAMINE DERIVATIVES AND INTERMEDIATES THEREFOR AMERICAN HOME PRODUCTS CORPORATION (US) 1987-07-29 EP claimed
US-4535186-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS; VENLAFAXINE AMERICAN HOME PRODUCTS CORPORATION (US) 1985-08-13 US claimed
EP-0112669-A2 Phenethylamine derivatives and intermediates therefor AMERICAN HOME PRODUCTS CORPORATION (US) 1984-07-04 EP claimed
US-9784752-B2 Venlafaxine assay RANDOX LABORATORIES LIMITED (GB) 2017-10-10 US disclosed
US-9784752-B2 Venlafaxine assay RANDOX LABORATORIES LIMITED (GB) 2017-10-10 US disclosed
US-20140147859-A1 Venlafaxine Assay Randox Laboratories, Limited (GB) 2014-05-29 US disclosed
US-7612210-B2 Process for selective synthesis of enantiomers of substituted 1-(2-amino-1-phenyl-ethyl)-cyclohexanols WYETH (US) 2009-11-03 US disclosed
EP-1924249-A2 TRANSDERMAL DRUG DELIVERY DEVICES CONTAINING O-DESMETHYL VENLAFAXINE (ODV) OR ITS SALTS Wyeth a Corporation of the State of Delaware (US) 2008-05-28 EP disclosed
US-20070135449-A1 Process for selective synthesis of enantiomers of substituted 1-(2-amino-1-phenyl-ethyl)-cyclohexanols WYETH (US) 2007-06-14 US disclosed
WO-2007030434-A2 TRANSDERMAL DRUG DELIVERY DEVICES CONTAINING O-DESMETHYL VENLAFAXINE (ODV) OR ITS SALTS WYETH (US) 2007-03-15 WO disclosed
US-20070053968-A1 Transdermal drug delivery devices containing O-Desmethyl Venlafaxine (ODV) or its salts WYETH (US) 2007-03-08 US disclosed
US-20070054964-A1 Topical formulations containing O-Desmethyl Venlafaxine (ODV) or its salts WYETH (US) 2007-03-08 US disclosed
US-4761501-A INTERMEDIATES FOR ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-08-02 US disclosed
EP-0112669-B1 PHENETHYLAMINE DERIVATIVES AND INTERMEDIATES THEREFOR AMERICAN HOME PRODUCTS CORPORATION (US) 1987-07-29 EP disclosed
US-4611078-A ANTIDEPRESSANT INTERMEDIATES AMERICAN HOME PRODUCTS CORPORATION (US) 1986-09-09 US disclosed
US-4535186-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS; VENLAFAXINE AMERICAN HOME PRODUCTS CORPORATION (US) 1985-08-13 US disclosed
EP-0112669-A2 Phenethylamine derivatives and intermediates therefor AMERICAN HOME PRODUCTS CORPORATION (US) 1984-07-04 EP 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-20140147859-A1 Venlafaxine Assay CYP2D6, SLC6A2, SLC6A4 SLC6A2 2/4885SLC6A4 3/4885SLC6A3 6/4885
US-20070135449-A1 Process for selective synthesis of enantiomers of substituted 1-(2-amino-1-phenyl-ethyl)-cyclohexanols MAP2K4, MAP2K1, MAP2K6 SLC6A2 3642/4885SLC6A4 3291/4885SLC6A3 2754/4885

“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.