SCHEMBL680976

SCHEMBL680976

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.36
CYP3A4 P08684 5/20 0.36
TRPM8 Q7Z2W7 3/20 0.36
DGAT1 O75907 5/20 0.33
FFAR4 Q5NUL3 2/20 0.33
KCNH2 Q12809 2/20 0.33
ADORA2A P29274 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LTC4S Q16873 1/20 0.32
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
SOAT1 P35610 1/20 0.32
SERPINE1 P05121 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
SCHEMBL680522 0.90 KDM4E (0.35) TACR1TRPM8PTGDR2LTC4SHTR1A
SCHEMBL680558 0.86 GPBAR1 (0.44) TACR1CYP3A4DGAT1FFAR4KCNH2
SCHEMBL680559 0.86 GPBAR1 (0.44) TACR1CYP3A4DGAT1FFAR4KCNH2
SCHEMBL679435 0.85 GPBAR1 (0.36) TACR1CYP3A4DGAT1FFAR4KCNH2
SCHEMBL679436 0.85 GPBAR1 (0.36) TACR1CYP3A4DGAT1FFAR4KCNH2
SCHEMBL680455 0.85 TACR1 (0.39) TACR1CYP3A4TRPM8DGAT1KCNH2
SCHEMBL680456 0.85 TACR1 (0.39) TACR1CYP3A4TRPM8DGAT1KCNH2
SCHEMBL680263 0.84 CETP (0.46) PTGDR2
SCHEMBL680262 0.84 CETP (0.46) PTGDR2
SCHEMBL15519977 0.83 TACR1 (0.34) TACR1CYP3A4TRPM8DGAT1FFAR4

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 TACR1 1559/4885CYP3A4 277/4885TRPM8 3872/4885

“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.