SCHEMBL679433

SCHEMBL679433

CCOC(=O)CC1CCC(CN(CC)c2ncc(C(F)(F)F)cc2CN(Cc2cc(Cl)cc(C(F)(F)F)c2)c2ncn(C)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
CRHR1 P34998 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CETP P11597 7/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CCRL2 O00421 1/20 0.31
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
LTC4S Q16873 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL679434 1.00 KDM4E (0.36) KDM4ECRHR1L3MBTL1CETPMEN1
SCHEMBL681076 0.95 CETP (0.35) KDM4EL3MBTL1CETPCCRL2POLB
SCHEMBL681075 0.95 CETP (0.35) KDM4EL3MBTL1CETPCCRL2POLB
SCHEMBL680316 0.92 FFAR4 (0.36) CRHR1CETPLTC4SPTGDR2
SCHEMBL680317 0.92 FFAR4 (0.36) CRHR1CETPLTC4SPTGDR2
SCHEMBL681144 0.91 CETP (0.40) KDM4ECETP
SCHEMBL681143 0.91 CETP (0.40) KDM4ECETP
SCHEMBL680322 0.90 KDM4E (0.36) KDM4ECRHR1L3MBTL1CETPMEN1
SCHEMBL680321 0.90 KDM4E (0.36) KDM4ECRHR1L3MBTL1CETPMEN1
SCHEMBL15519679 0.90 KDM4E (0.37) KDM4ECRHR1L3MBTL1MEN1KMT2A

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 KDM4E 4482/4885CRHR1 2579/4885L3MBTL1 1255/4885

“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.