SCHEMBL13628922

SCHEMBL13628922

O=C(Cc1cccc(OC(F)(F)F)c1)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
NAAA Q02083 3/20 0.45
CETP P11597 2/20 0.42
DRD4 P21917 2/20 0.42
RIPK1 Q13546 2/20 0.42
DRD2 P14416 1/20 0.42
MAPK14 Q16539 1/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
P2RY14 Q15391 1/20 0.40
FOLH1 Q04609 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
LIPE Q05469 1/20 0.39
EPHX1 P07099 1/20 0.39
AMPD2 Q01433 1/20 0.39

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
SCHEMBL4508437 1.00 FAAH (0.47) FAAHNAAACETPDRD4RIPK1
SCHEMBL17186412 0.87 FAAH (0.48) FAAHNAAA
SCHEMBL7423431 0.87 FAAH (0.48) FAAHNAAA
SCHEMBL1915643 0.83 NAAA (0.47) FAAHNAAA
SCHEMBL7346791 0.83 NAAA (0.47) FAAHNAAA
SCHEMBL1915646 0.83 NAAA (0.47) FAAHNAAA
SCHEMBL7808725 0.83 NAAA (0.48) FAAHNAAA
SCHEMBL5765764 0.82 TACR1 (0.44) NAAACETP
SCHEMBL5767504 0.82 TACR1 (0.44) NAAACETP
SCHEMBL15516356 0.82 TACR1 (0.45) FAAHNAAA

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 5 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
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-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

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 FAAH 1081/4885NAAA 1405/4885CETP 4560/4885

“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.