SCHEMBL4515997

SCHEMBL4515997

COc1ccc(CC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CACNA1G O43497 1/20 0.45
FAAH O00519 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.44
GPR183 P32249 1/20 0.44
ALOX5 P09917 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL2370627 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ALMNASIGMAR1
SCHEMBL1153166 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ALMNASIGMAR1
SCHEMBL5967331 0.91 PTGS1 (0.48) ALDH1A1KMT2AMEN1CACNA1GFAAH
SCHEMBL5967337 0.91 PTGS1 (0.48) ALDH1A1KMT2AMEN1CACNA1GFAAH
SCHEMBL15506202 0.90 TACR1 (0.45) ALDH1A1SIGMAR1CACNA1GFAAH
SCHEMBL15516356 0.90 TACR1 (0.45) ALDH1A1SIGMAR1CACNA1GFAAH
SCHEMBL1915646 0.89 NAAA (0.47) ALDH1A1FAAHHPGD
SCHEMBL7346791 0.89 NAAA (0.47) ALDH1A1FAAHHPGD
SCHEMBL1915643 0.89 NAAA (0.47) ALDH1A1FAAHHPGD
SCHEMBL7423431 0.89 FAAH (0.48) SIGMAR1KMT2AMEN1FAAHMAPT

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 14 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 claimed
EP-1957470-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS Wyeth (US) 2008-08-20 EP claimed
US-20070135449-A1 Process for selective synthesis of enantiomers of substituted 1-(2-amino-1-phenyl-ethyl)-cyclohexanols WYETH (US) 2007-06-14 US claimed
WO-2007067501-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS WYETH (US) 2007-06-14 WO claimed
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
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-1957470-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS Wyeth (US) 2008-08-20 EP 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
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-2007067501-A1 PROCESS FOR SELECTIVE SYNTHESIS OF ENANTIOMERS OF SUBSTITUTED 1-(2-AMINO-1-PHENYL-ETHYL)-CYCLOHEXANOLS WYETH (US) 2007-06-14 WO disclosed
US-5438118-A Peptide mimics having constrained peptide backbone SMITHKLINE BEECHMAN CORP. (US) 1995-08-01 US disclosed
WO-1992009297-A1 HIV PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-11 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-20070135449-A1 Process for selective synthesis of enantiomers of substituted 1-(2-amino-1-phenyl-ethyl)-cyclohexanols MAP2K4, MAP2K1, MAP2K6 ALDH1A1 512/4885SMN1; SMN2 3365/4885RAB9A 4215/4885

“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.