SCHEMBL681081

SCHEMBL681081

CCOC(=O)C[C@H]1CC[C@H](CN(CC)c2ncc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(Cl)c2F)c2nnn(C)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CRHR1 P34998 1/20 0.34
CETP P11597 4/20 0.34
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
LMNA P02545 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
SCHEMBL681080 1.00 KDM4E (0.37) KDM4EL3MBTL1MEN1KMT2ACRHR1
SCHEMBL679498 0.92 PTGDR2 (0.35) CRHR1CETPALDH1A1TRPM8POLB
SCHEMBL679497 0.92 PTGDR2 (0.35) CRHR1CETPALDH1A1TRPM8POLB
SCHEMBL680080 0.90 CETP (0.41) CETP
SCHEMBL680081 0.90 CETP (0.41) CETP
SCHEMBL681143 0.90 CETP (0.40) KDM4ECETP
SCHEMBL681144 0.90 CETP (0.40) KDM4ECETP
SCHEMBL681152 0.87 CETP (0.40) CETP
SCHEMBL681151 0.87 CETP (0.40) CETP
SCHEMBL680480 0.86 CETP (0.41) CETP

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 3 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

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 4482/4885L3MBTL1 1255/4885MEN1 691/4885

“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.