SCHEMBL679436

SCHEMBL679436

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)C(=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.36
CYP3A4 P08684 5/20 0.36
TACR1 P25103 5/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.36
CETP P11597 3/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
MCHR1 Q99705 1/20 0.34
DGAT1 O75907 1/20 0.33
ADORA2A P29274 1/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL679435 1.00 GPBAR1 (0.36) GPBAR1CYP3A4TACR1PTGDR2CETP
SCHEMBL680558 0.92 GPBAR1 (0.44) GPBAR1CYP3A4TACR1PTGDR2CETP
SCHEMBL680559 0.92 GPBAR1 (0.44) GPBAR1CYP3A4TACR1PTGDR2CETP
SCHEMBL680450 0.90 CETP (0.38) GPBAR1TACR1PTGDR2CETPHTR1A
SCHEMBL680449 0.90 CETP (0.38) GPBAR1TACR1PTGDR2CETPHTR1A
SCHEMBL680262 0.89 CETP (0.46) PTGDR2CETP
SCHEMBL680263 0.89 CETP (0.46) PTGDR2CETP
SCHEMBL2563087 0.88 CETP (0.36) GPBAR1TACR1PTGDR2CETPHTR1A
SCHEMBL15519756 0.86 CETP (0.35) GPBAR1TACR1PTGDR2CETP
SCHEMBL15519758 0.86 CETP (0.35) GPBAR1TACR1PTGDR2CETP

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 2165/4885CYP3A4 277/4885TACR1 1559/4885

“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.