SCHEMBL681019

SCHEMBL681019

CCN(CC1CCC(CC(=O)O)CC1)c1ncc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccn(C)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.35
PTGDR2 Q9Y5Y4 6/20 0.35
CYP3A4 P08684 5/20 0.35
KCNH2 Q12809 3/20 0.33
DGAT1 O75907 2/20 0.33
LTC4S Q16873 1/20 0.33
CETP P11597 2/20 0.33
ADORA2A P29274 1/20 0.33
RORC P51449 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
SCHEMBL681020 1.00 TACR1 (0.35) TACR1PTGDR2CYP3A4KCNH2DGAT1
SCHEMBL679151 0.95 FFAR4 (0.35) TACR1PTGDR2CYP3A4KCNH2DGAT1
SCHEMBL679152 0.95 FFAR4 (0.35) TACR1PTGDR2CYP3A4KCNH2DGAT1
SCHEMBL681037 0.92 CETP (0.34) PTGDR2KCNH2LTC4SCETP
SCHEMBL681036 0.92 CETP (0.34) PTGDR2KCNH2LTC4SCETP
SCHEMBL680412 0.88 CETP (0.33) TACR1PTGDR2CYP3A4KCNH2DGAT1
SCHEMBL680413 0.88 CETP (0.33) TACR1PTGDR2CYP3A4KCNH2DGAT1
SCHEMBL680321 0.87 KDM4E (0.36) PTGDR2LTC4SCETP
SCHEMBL680322 0.87 KDM4E (0.36) PTGDR2LTC4SCETP
SCHEMBL680455 0.86 TACR1 (0.39) TACR1CYP3A4KCNH2DGAT1LTC4S

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 1559/4885PTGDR2 2631/4885CYP3A4 277/4885

“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.