SCHEMBL681037

SCHEMBL681037

CCOC(=O)C[C@H]1CC[C@H](CN(CC)c2ncc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccn(C)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 10/20 0.34
CCRL2 O00421 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
POLB P06746 1/20 0.32
LTC4S Q16873 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KCNH2 Q12809 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL681036 1.00 CETP (0.34) CETPCCRL2KDM4EPTGDR2POLB
SCHEMBL680322 0.95 KDM4E (0.36) CETPCCRL2KDM4EPTGDR2POLB
SCHEMBL680321 0.95 KDM4E (0.36) CETPCCRL2KDM4EPTGDR2POLB
SCHEMBL681019 0.92 TACR1 (0.35) CETPPTGDR2LTC4SKCNH2
SCHEMBL681020 0.92 TACR1 (0.35) CETPPTGDR2LTC4SKCNH2
SCHEMBL681076 0.89 CETP (0.35) CETPCCRL2KDM4EPTGDR2POLB
SCHEMBL681075 0.89 CETP (0.35) CETPCCRL2KDM4EPTGDR2POLB
SCHEMBL679152 0.87 FFAR4 (0.35) CETPPTGDR2LTC4SKCNH2
SCHEMBL679151 0.87 FFAR4 (0.35) CETPPTGDR2LTC4SKCNH2
SCHEMBL679299 0.87 DHFR (0.38) CETPKDM4EPTGDR2LTC4SGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841478-B2 Method for preparing trans-{4-[(alkylamino) methyl]- cyclohexyl}acetic acid ester KOWA COMPANY, LTD. (JP) 2014-09-23 US disclosed
EP-2383253-B1 METHOD FOR MANUFACTURING TRANS-{4-[(ALKYL AMINO) METHYL]CYCLOHEXYL} ACETIC ESTER KOWA CO (JP) 2014-03-19 EP disclosed
US-20110288328-A1 METHOD FOR PREPARING TRANS-ACETIC ACID ESTER KOWA COMPANY, LTD. (JP) 2011-11-24 US disclosed
EP-2383253-A1 METHOD FOR MANUFACTURING TRANS-{4-Ý(ALKYL AMINO) METHYL¨CYCLOHEXYL} ACETIC ESTER Kowa Company, Ltd. (JP) 2011-11-02 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-20110288328-A1 METHOD FOR PREPARING TRANS-ACETIC ACID ESTER ACSL6, ACSL3, ACSL1 CETP 274/4885CCRL2 574/4885KDM4E 4482/4885

“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.