SCHEMBL680455

SCHEMBL680455

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.39
CYP3A4 P08684 3/20 0.39
LTC4S Q16873 4/20 0.37
GPBAR1 Q8TDU6 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PTGIR P43119 1/20 0.35
DGAT1 O75907 1/20 0.35
ADORA2A P29274 1/20 0.35
KCNH2 Q12809 1/20 0.35
POLQ O75417 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL680456 1.00 TACR1 (0.39) TACR1CYP3A4LTC4SGPBAR1SLC6A2
SCHEMBL680452 0.94 SLC6A2 (0.37) TACR1CYP3A4LTC4SGPBAR1SLC6A2
SCHEMBL680453 0.94 SLC6A2 (0.37) TACR1CYP3A4LTC4SGPBAR1SLC6A2
SCHEMBL679300 0.91 DHFR (0.38) TACR1CYP3A4LTC4SGPBAR1SLC6A2
SCHEMBL679299 0.91 DHFR (0.38) TACR1CYP3A4LTC4SGPBAR1SLC6A2
SCHEMBL680559 0.86 GPBAR1 (0.44) TACR1CYP3A4GPBAR1DGAT1ADORA2A
SCHEMBL680558 0.86 GPBAR1 (0.44) TACR1CYP3A4GPBAR1DGAT1ADORA2A
SCHEMBL680424 0.86 KDM4E (0.39) CYP3A4LTC4SSLC6A2SLC6A4SLC6A3
SCHEMBL680425 0.86 KDM4E (0.39) CYP3A4LTC4SSLC6A2SLC6A4SLC6A3
SCHEMBL681020 0.86 TACR1 (0.35) TACR1CYP3A4LTC4SDGAT1ADORA2A

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 277/4885LTC4S 708/4885

“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.