SCHEMBL4560773

SCHEMBL4560773

NCC(c1ccccc1)C1(O)CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.46
SLC6A4 P31645 8/20 0.46
SLC6A3 Q01959 2/20 0.46
OPRM1 P35372 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL12165436 0.84 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL1699450 0.84 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL28554942 0.84 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3OPRM1CHRM2
SCHEMBL13352355 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3OPRM1
Hydrochloric Acid SCHEMBL3925422 0.83 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL2639282 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL12278694 0.83 TAAR1 (0.39) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL10613798 0.83 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL27414733 0.82 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3OPRM1CHRM2
SCHEMBL5349569 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3OPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101321741-A Process for selective synthesis of enantiomers of substituted 1-(2-amino-1-phenyl-ethyl)-cyclohexanols WYETH CORP (US) 2008-12-10 CN disclosed
EP-1957470-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS Wyeth (US) 2008-08-20 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-2007067501-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS WYETH (US) 2007-06-14 WO disclosed
WO-2002046140-A1 NOVEL CRYSTALLINE POLYMORPHIC FORMS OF VENLAFAXINE HYDROCHLORIDE AND A PROCESS FOR THEIR PREPARATION DR. REDDY'S LABORATORIES LTD. (IN) 2002-06-13 WO 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 (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-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.