SCHEMBL680997

SCHEMBL680997

CCOC(=O)C[C@H]1CC[C@H](CN(CC)c2ncc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.40
CETP P11597 9/20 0.39
KDM4E B2RXH2 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CCRL2 O00421 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
LTC4S Q16873 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL680996 1.00 GPBAR1 (0.40) GPBAR1CETPKDM4EPTGDR2L3MBTL1
SCHEMBL680450 0.92 CETP (0.38) GPBAR1CETPKDM4EPTGDR2L3MBTL1
SCHEMBL680446 0.92 CETP (0.48) CETPKDM4E
SCHEMBL680449 0.92 CETP (0.38) GPBAR1CETPKDM4EPTGDR2L3MBTL1
SCHEMBL680445 0.92 CETP (0.48) CETPKDM4E
SCHEMBL680558 0.90 GPBAR1 (0.44) GPBAR1CETPPTGDR2
SCHEMBL680559 0.90 GPBAR1 (0.44) GPBAR1CETPPTGDR2
SCHEMBL680522 0.87 KDM4E (0.35) CETPKDM4EPTGDR2L3MBTL1CCRL2
SCHEMBL679299 0.87 DHFR (0.38) GPBAR1CETPKDM4EPTGDR2LTC4S
SCHEMBL679300 0.87 DHFR (0.38) GPBAR1CETPKDM4EPTGDR2LTC4S

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 GPBAR1 2165/4885CETP 274/4885KDM4E 4482/4885

“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.