SCHEMBL4308368

SCHEMBL4308368

CNC(=O)COC(=O)N1CCN(CCCCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
FAAH O00519 1/20 0.51
HTR2A P28223 3/20 0.45
OPRM1 P35372 3/20 0.45
ADORA3 P0DMS8 2/20 0.45
HTR7 P34969 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
DRD4 P21917 3/20 0.43
HRH1 P35367 3/20 0.43
DRD2 P14416 3/20 0.43
HTR1A P08908 2/20 0.43
HRH2 P25021 2/20 0.43
CACNA1F O60840 1/20 0.43
DRD5 P21918 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL4306303 0.88 MEN1 (0.49) FAAHHTR2AOPRM1ADORA3HTR7
SCHEMBL2179130 0.86 FAAH (0.65) HRH3FAAHHTR2AOPRM1ADORA3
SCHEMBL5453583 0.83 FAAH (0.67) HRH3FAAHHDAC1HDAC8NAAA
SCHEMBL2177424 0.81 SIGMAR1 (0.56) FAAHHTR2AOPRM1ADORA3HTR7
SCHEMBL5450185 0.81 FAAH (0.77) HRH3FAAHENPP2
SCHEMBL2178407 0.80 FAAH (0.62) HRH3FAAHHTR2AOPRM1ADORA3
SCHEMBL5238067 0.79 CA12 (0.53) FAAHDRD4DRD2L3MBTL1ENPP2
SCHEMBL2175558 0.78 FAAH (0.50) FAAHHTR2AOPRM1ADORA3HTR7
SCHEMBL5477072 0.78 HRH3 (0.58) HRH3FAAHSIGMAR1HDAC1HDAC8
SCHEMBL2176717 0.77 SIGMAR1 (0.52) HRH3FAAHHTR2AOPRM1ADORA3

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
EP-1720848-B1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE- CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2007-12-05 EP claimed
US-20090143365-A1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2009-06-04 US disclosed
US-7482346-B2 Derivatives of alkylpiperazine and alkylhomopiperazine-carboxylates, preparation method thereof and use of same as fatty acid amido hydrolase enzyme inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-20070027141-A1 DERIVATIVES OF ALKYLPIPERAZINE AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-02-01 US 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 (2 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-20090143365-A1 DERIVATIVES OF ALKYLPIPERAZINE- AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 HRH3 124/4885FAAH 1/4885HTR2A 350/4885
US-20070027141-A1 DERIVATIVES OF ALKYLPIPERAZINE AND ALKYLHOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 HRH3 116/4885FAAH 1/4885HTR2A 316/4885

“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.