SCHEMBL2177149

SCHEMBL2177149

CNC(=O)COC(=O)N1CCN(CCCc2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.51
HTR2A P28223 2/20 0.51
OPRM1 P35372 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
HTR7 P34969 1/20 0.51
FAAH O00519 6/20 0.49
HRH1 P35367 2/20 0.49
HTR1A P08908 1/20 0.49
DRD4 P21917 1/20 0.49
MGLL Q99685 1/20 0.47
HRH2 P25021 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2178066 0.94 FAAH (0.48) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL2175871 0.92 FAAH (0.52) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL2176110 0.91 HRH2 (0.53) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL2175549 0.91 MEN1 (0.48) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL2177424 0.91 SIGMAR1 (0.56) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL2178312 0.90 SIGMAR1 (0.54) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL2180209 0.87 SMN1; SMN2 (0.52) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL2178351 0.86 FAAH (0.52) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL2176717 0.84 SIGMAR1 (0.52) SIGMAR1HTR2AOPRM1ADORA3HTR7
SCHEMBL5450845 0.84 FAAH (0.58) FAAHMGLL

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 SIGMAR1 1293/4885HTR2A 350/4885OPRM1 546/4885
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 SIGMAR1 1337/4885HTR2A 316/4885OPRM1 574/4885

“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.