SCHEMBL679300

SCHEMBL679300

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)c2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
LTC4S Q16873 5/20 0.36
KDM4E B2RXH2 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TACR1 P25103 4/20 0.35
PTGIR P43119 1/20 0.34
POLQ O75417 1/20 0.34
CETP P11597 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL679299 1.00 DHFR (0.38) DHFRLTC4SKDM4EGPBAR1SLC6A2
SCHEMBL680424 0.95 KDM4E (0.39) DHFRLTC4SKDM4ESLC6A2SLC6A4
SCHEMBL680425 0.95 KDM4E (0.39) DHFRLTC4SKDM4ESLC6A2SLC6A4
SCHEMBL680456 0.91 TACR1 (0.39) LTC4SGPBAR1SLC6A2SLC6A4SLC6A3
SCHEMBL680455 0.91 TACR1 (0.39) LTC4SGPBAR1SLC6A2SLC6A4SLC6A3
SCHEMBL680997 0.87 GPBAR1 (0.40) LTC4SKDM4EGPBAR1CETPPTGDR2
SCHEMBL680996 0.87 GPBAR1 (0.40) LTC4SKDM4EGPBAR1CETPPTGDR2
SCHEMBL681037 0.87 CETP (0.34) LTC4SKDM4EGPBAR1CETPPTGDR2
SCHEMBL681036 0.87 CETP (0.34) LTC4SKDM4EGPBAR1CETPPTGDR2
SCHEMBL680452 0.86 SLC6A2 (0.37) LTC4SGPBAR1SLC6A2SLC6A4SLC6A3

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 DHFR 1522/4885LTC4S 708/4885KDM4E 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.