SCHEMBL680424

SCHEMBL680424

CCOC(=O)CC1CCC(CN(CC)c2ncc(C(F)(F)F)cc2CN(Cc2cc(Cl)cc(C(F)(F)F)c2)c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
CETP P11597 2/20 0.36
DHFR P00374 1/20 0.36
LTC4S Q16873 7/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
KCNH2 Q12809 1/20 0.33
CRHR1 P34998 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL680425 1.00 KDM4E (0.39) KDM4ECETPDHFRLTC4SSLC6A2
SCHEMBL679299 0.95 DHFR (0.38) KDM4ECETPDHFRLTC4SSLC6A2
SCHEMBL679300 0.95 DHFR (0.38) KDM4ECETPDHFRLTC4SSLC6A2
SCHEMBL680452 0.92 SLC6A2 (0.37) CETPLTC4SSLC6A2SLC6A4SLC6A3
SCHEMBL680453 0.92 SLC6A2 (0.37) CETPLTC4SSLC6A2SLC6A4SLC6A3
SCHEMBL15520578 0.89 CETP (0.36) KDM4ECETPLTC4SSLC6A2SLC6A4
SCHEMBL680321 0.88 KDM4E (0.36) KDM4ECETPLTC4SL3MBTL1TRPM8
SCHEMBL680322 0.88 KDM4E (0.36) KDM4ECETPLTC4SL3MBTL1TRPM8
SCHEMBL679433 0.87 KDM4E (0.36) KDM4ECETPLTC4SL3MBTL1CRHR1
SCHEMBL679434 0.87 KDM4E (0.36) KDM4ECETPLTC4SL3MBTL1CRHR1

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 4482/4885CETP 274/4885DHFR 1522/4885

“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.