SCHEMBL680450

SCHEMBL680450

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(=O)N(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.38
KDM4E B2RXH2 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CCRL2 O00421 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
MCHR1 Q99705 1/20 0.32
TACR1 P25103 1/20 0.31
POLB P06746 1/20 0.31
LTC4S Q16873 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
SCHEMBL680449 1.00 CETP (0.38) CETPKDM4EGPBAR1PTGDR2MEN1
SCHEMBL680997 0.92 GPBAR1 (0.40) CETPKDM4EGPBAR1PTGDR2MEN1
SCHEMBL680996 0.92 GPBAR1 (0.40) CETPKDM4EGPBAR1PTGDR2MEN1
SCHEMBL680445 0.91 CETP (0.48) CETPKDM4E
SCHEMBL680446 0.91 CETP (0.48) CETPKDM4E
SCHEMBL679435 0.90 GPBAR1 (0.36) CETPGPBAR1PTGDR2HTR1AADRA2A
SCHEMBL679436 0.90 GPBAR1 (0.36) CETPGPBAR1PTGDR2HTR1AADRA2A
SCHEMBL2563087 0.88 CETP (0.36) CETPGPBAR1PTGDR2HTR1AADRA2A
SCHEMBL15519756 0.88 CETP (0.35) CETPKDM4EGPBAR1PTGDR2TACR1
SCHEMBL15519758 0.88 CETP (0.35) CETPKDM4EGPBAR1PTGDR2TACR1

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

“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.