SCHEMBL680317

SCHEMBL680317

CCN(C[C@H]1CC[C@H](CC(=O)O)CC1)c1ncc(C(F)(F)F)cc1CN(Cc1cc(Cl)cc(C(F)(F)F)c1)c1ncn(C)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
CETP P11597 5/20 0.34
CRHR1 P34998 1/20 0.33
PTGDR2 Q9Y5Y4 6/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
LTC4S Q16873 2/20 0.32
FAAH O00519 1/20 0.31
DGAT1 O75907 2/20 0.31
KCNH2 Q12809 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
SCHEMBL680316 1.00 FFAR4 (0.36) FFAR4CETPCRHR1PTGDR2TRPM8
SCHEMBL680412 0.95 CETP (0.33) FFAR4CETPPTGDR2DGAT1KCNH2
SCHEMBL680413 0.95 CETP (0.33) FFAR4CETPPTGDR2DGAT1KCNH2
SCHEMBL679433 0.92 KDM4E (0.36) CETPCRHR1PTGDR2LTC4S
SCHEMBL679434 0.92 KDM4E (0.36) CETPCRHR1PTGDR2LTC4S
SCHEMBL680429 0.90 CETP (0.39) FFAR4CETP
SCHEMBL680430 0.90 CETP (0.39) FFAR4CETP
SCHEMBL679151 0.89 FFAR4 (0.35) FFAR4CETPCRHR1PTGDR2TRPM8
SCHEMBL679152 0.89 FFAR4 (0.35) FFAR4CETPCRHR1PTGDR2TRPM8
SCHEMBL680453 0.87 SLC6A2 (0.37) FFAR4CETPTRPM8LTC4SKCNH2

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 FFAR4 392/4885CETP 274/4885CRHR1 2579/4885

“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.