SCHEMBL2178789

SCHEMBL2178789

CNC(=O)COC(=O)N1CCN(CCCC#Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
HRH1 P35367 8/20 0.40
HRH2 P25021 7/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
SLC6A4 P31645 3/20 0.40
SIGMAR1 Q99720 2/20 0.39
KCNH2 Q12809 1/20 0.39
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2177270 0.92 FAAH (0.41) FAAHHRH1HRH2MAPTHTT
SCHEMBL4297649 0.88 GRM5 (0.47) FAAHHRH1HRH2MAPK1HRH3
SCHEMBL4309408 0.86 FAAH (0.45) FAAHHRH1HRH2MAPTHTT
SCHEMBL4306833 0.85 FAAH (0.46) FAAHHRH1HRH2MAPTHTT
SCHEMBL5484273 0.80 SIGMAR1 (0.48) MAPTMAPK1HRH3SLC6A4SIGMAR1
SCHEMBL2174992 0.75 HRH2 (0.52) FAAHHRH1HRH2MAPTHTR2A
SCHEMBL2175897 0.75 TSHR (0.56) FAAHHRH1HRH2MAPTHTT
SCHEMBL2177380 0.74 HRH2 (0.71) FAAHHRH1HRH2HRH3
SCHEMBL5236929 0.74 MAPT (0.73) FAAHMAPTHTTMAPK1ALDH1A1
SCHEMBL2177120 0.74 HRH2 (0.49) FAAHHRH1HRH2ALDH1A1POLB

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 5 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-7973042-B2 Derivatives of alkylpiperazine- and alkylhomopiperazine-carboxylates, preparation method thereof and use of same as fatty acid amido hydrolase enzyme inhibitors SANOFI-AVENTIS (FR) 2011-07-05 US disclosed
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 FAAH 1/4885HRH1 45/4885HRH2 28/4885
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 FAAH 1/4885HRH1 40/4885HRH2 19/4885

“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.