SCHEMBL3714751

SCHEMBL3714751

N#CC(c1ccc(O)cc1)C1(O)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
OPRM1 P35372 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ALDH1A1 P00352 3/20 0.46
ACHE P22303 1/20 0.46
ESR1 P03372 10/20 0.46
ESR2 Q92731 10/20 0.46
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13190007 0.85 SLC6A2 (0.39) SLC6A2SLC6A4OPRM1SLC6A3ALDH1A1
SCHEMBL10613993 0.85 SLC6A4 (0.50) SLC6A2SLC6A4OPRM1SLC6A3ALDH1A1
SCHEMBL2640257 0.85 SLC6A2 (0.35) SLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL4127265 0.84 TSHR (0.42) SLC6A2SLC6A4OPRM1ALDH1A1MEN1
SCHEMBL12165433 0.82 SLC6A2 (0.36) SLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL1671921 0.81 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL12187990 0.81 EGFR (0.38) SLC6A2SLC6A4OPRM1SLC6A3ALDH1A1
SCHEMBL13594882 0.81 SLC6A2 (0.38) SLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL14346106 0.81 ALDH1A1 (0.33) SLC6A2SLC6A4OPRM1SLC6A3ALDH1A1
SCHEMBL17215125 0.80 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009144517-A1 PROCESS FOR THE PREPARATION OF CYCLOHEXANOL DERIVATIVES EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MÜKÖDÖ (HU) 2009-12-03 WO claimed
WO-2009084037-A2 NOVEL PROCESS FOR PREPARATION OF O-DESMETHYLVENLAFAXINE CALYX CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2009-07-09 WO claimed
US-20210101863-A1 Substituted Phenethylamines with Serotoninergic and/or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2021-04-08 US disclosed
WO-2010100520-A1 A PROCESS FOR PREPARATION OF PHENETHYLAMINE DERIVATIVE HIKAL LIMITED (IN) 2010-09-10 WO disclosed
WO-2009144517-A1 PROCESS FOR THE PREPARATION OF CYCLOHEXANOL DERIVATIVES EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MÜKÖDÖ (HU) 2009-12-03 WO disclosed
WO-2009084037-A2 NOVEL PROCESS FOR PREPARATION OF O-DESMETHYLVENLAFAXINE CALYX CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2009-07-09 WO disclosed
WO-2009084037-A2 NOVEL PROCESS FOR PREPARATION OF O-DESMETHYLVENLAFAXINE CALYX CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2009-07-09 WO disclosed
US-20090062572-A1 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-05 US disclosed
US-20090062572-A1 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-05 US disclosed
US-20090062572-A1 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-05 US disclosed
CN-101238094-A Process for the preparation of 1-[cyano(4-hydroxyphenyl)methyl]cyclohexanol compounds WYETH CORP (US) 2008-08-06 CN disclosed
WO-2008059525-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF VENLAFAXINE AND ITS ANALOGS CALYX CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2008-05-22 WO disclosed
EP-1902015-A1 PROCESS FOR THE PREPARATION OF 1-[CYANO (4-HYDROXYPHENYL)METHYL]CYCLOHEXANOL COMPOUNDS Wyeth (US) 2008-03-26 EP disclosed
WO-2008013993-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO disclosed
WO-2008013993-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO disclosed
WO-2007147564-A1 PROCESS FOR PREPARATION OF 0-DESMETHYLVENLAFAXINE AND ITS ANALOGUES KRKA (SI) 2007-12-27 WO disclosed
EP-1870395-A1 Process for preparation of o-desmethylvenlafaxine and its analogue KRKA, D.D., Novo Mesto (SI) 2007-12-26 EP disclosed
US-20070021627-A1 Process for the preparation of 1-[cyano(4-hydroxyphenyl)methyl]cyclohexanol compounds WYETH 2007-01-25 US disclosed
US-20070021627-A1 Process for the preparation of 1-[cyano(4-hydroxyphenyl)methyl]cyclohexanol compounds WYETH 2007-01-25 US disclosed
WO-2007000294-A1 PROCESS FOR THE PREPARATION OF 1-[CYANO (4-HYDROXYPHENYL)METHYL]CYCLOHEXANOL COMPOUNDS WYETH (US) 2007-01-04 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 (3 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-20090062572-A1 Processes for the synthesis of O-desmethylvenlafaxine CYP2D6, MAOB, CYP2C9 SLC6A2 59/4885SLC6A4 38/4885OPRM1 142/4885
US-20210101863-A1 Substituted Phenethylamines with Serotoninergic and/or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 SLC6A2 4/4885SLC6A4 1/4885OPRM1 25/4885
US-20070021627-A1 Process for the preparation of 1-[cyano(4-hydroxyphenyl)methyl]cyclohexanol compounds C1S, PAH, P4HA1 SLC6A2 2779/4885SLC6A4 2185/4885OPRM1 970/4885

“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.