SCHEMBL680940

SCHEMBL680940

CCN(C[C@H]1CC[C@H](CC(=O)O)CC1)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.46
FFAR4 Q5NUL3 4/20 0.38
CYP3A4 P08684 2/20 0.37
TACR1 P25103 2/20 0.37
NTRK1 P04629 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL680939 1.00 CETP (0.46) CETPFFAR4CYP3A4TACR1NTRK1
SCHEMBL1587966 0.87 CETP (0.47) CETPNTRK1
SCHEMBL685393 0.85 CETP (0.40) CETP
SCHEMBL1587594 0.84 CETP (0.49) CETPNTRK1
SCHEMBL1587837 0.84 CETP (0.45) CETPTACR1NTRK1
SCHEMBL1587724 0.84 CETP (0.40) CETPCYP3A4TACR1PTGDR2
SCHEMBL1587722 0.84 CETP (0.40) CETPCYP3A4TACR1PTGDR2
SCHEMBL1588669 0.83 CETP (0.45) CETPTACR1NTRK1
SCHEMBL1588389 0.81 CETP (0.51) CETP
SCHEMBL2128551 0.81 CETP (0.43) 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 6 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
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
WO-2010061621-A1 METHOD FOR MANUFACTURING TRANS-{4-[(ALKYL AMINO) METHYL] CYCLOHEXYL} ACETIC ESTER 興和株式会社 (JP) 2010-06-03 WO 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 CETP 274/4885FFAR4 392/4885CYP3A4 277/4885

“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.