SCHEMBL680452

SCHEMBL680452

CCN(CC1CCC(CC(=O)O)CC1)c1ncc(C(F)(F)F)cc1CN(Cc1cc(Cl)cc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CETP P11597 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
LTC4S Q16873 4/20 0.36
TACR1 P25103 2/20 0.35
KCNH2 Q12809 1/20 0.35
TRPM8 Q7Z2W7 5/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GPBAR1 Q8TDU6 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
SCHEMBL680453 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP3A4CYP1A2
SCHEMBL680456 0.94 TACR1 (0.39) SLC6A2SLC6A4SLC6A3CYP3A4LTC4S
SCHEMBL680455 0.94 TACR1 (0.39) SLC6A2SLC6A4SLC6A3CYP3A4LTC4S
SCHEMBL680424 0.92 KDM4E (0.39) SLC6A2SLC6A4SLC6A3CYP3A4CYP1A2
SCHEMBL680425 0.92 KDM4E (0.39) SLC6A2SLC6A4SLC6A3CYP3A4CYP1A2
SCHEMBL15520578 0.90 CETP (0.36) SLC6A2SLC6A4SLC6A3CYP3A4CYP1A2
SCHEMBL679152 0.87 FFAR4 (0.35) CYP3A4CETPFFAR4LTC4STACR1
SCHEMBL679151 0.87 FFAR4 (0.35) CYP3A4CETPFFAR4LTC4STACR1
SCHEMBL680316 0.87 FFAR4 (0.36) CETPFFAR4LTC4SKCNH2TRPM8
SCHEMBL680317 0.87 FFAR4 (0.36) CETPFFAR4LTC4SKCNH2TRPM8

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 SLC6A2 3406/4885SLC6A4 3262/4885SLC6A3 3967/4885

“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.