SCHEMBL679497

SCHEMBL679497

CCN(CC1CCC(CC(=O)O)CC1)c1ncc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(Cl)c1F)c1nnn(C)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.35
CETP P11597 3/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
CRHR1 P34998 1/20 0.34
DGAT1 O75907 1/20 0.33
LTC4S Q16873 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
POLB P06746 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
SCHEMBL679498 1.00 PTGDR2 (0.35) PTGDR2CETPTRPM8CRHR1DGAT1
SCHEMBL681081 0.92 KDM4E (0.37) PTGDR2CETPTRPM8CRHR1ALDH1A1
SCHEMBL681080 0.92 KDM4E (0.37) PTGDR2CETPTRPM8CRHR1ALDH1A1
SCHEMBL680438 0.90 CETP (0.41) CETP
SCHEMBL680437 0.90 CETP (0.41) CETP
SCHEMBL14470733 0.90 CETP (0.41) CETP
SCHEMBL680430 0.89 CETP (0.39) CETPFFAR4
SCHEMBL680429 0.89 CETP (0.39) CETPFFAR4
SCHEMBL15580638 0.86 CETP (0.37) PTGDR2CETPTRPM8LTC4S
SCHEMBL680585 0.85 CETP (0.40) PTGDR2CETP

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 PTGDR2 2631/4885CETP 274/4885TRPM8 3872/4885

“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.