SCHEMBL4297649

SCHEMBL4297649

CNC(=O)COC(=O)N1CCN(CCCC#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.47
CYP3A4 P08684 1/20 0.47
FAAH O00519 1/20 0.43
HRH1 P35367 4/20 0.42
HRH2 P25021 3/20 0.42
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPK1 P28482 1/20 0.39
CACNA1G O43497 2/20 0.38
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL2178789 0.88 FAAH (0.41) FAAHHRH1HRH2KCNH2SLC6A4
SCHEMBL2177270 0.87 FAAH (0.41) FAAHHRH1HRH2MEN1KMT2A
SCHEMBL4306833 0.86 FAAH (0.46) FAAHHRH1HRH2MEN1KMT2A
SCHEMBL5710776 0.85 GRM5 (0.59) GRM5CYP3A4HRH1HRH2KCNH2
SCHEMBL4309408 0.85 FAAH (0.45) FAAHHRH1HRH2MEN1KMT2A
SCHEMBL5710858 0.84 GRM5 (0.58) GRM5CYP3A4HRH1HRH2KCNH2
SCHEMBL5479482 0.81 MEN1 (0.49) GRM5CYP3A4KCNH2MEN1KMT2A
SCHEMBL2175558 0.81 FAAH (0.50) FAAHHRH1HRH2MEN1KMT2A
SCHEMBL2177014 0.81 HRH2 (0.54) HRH1HRH2MEN1KMT2AHRH3
SCHEMBL2175549 0.80 MEN1 (0.48) FAAHHRH1HRH2KCNH2MEN1

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 GRM5 191/4885CYP3A4 406/4885FAAH 1/4885
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 GRM5 196/4885CYP3A4 370/4885FAAH 1/4885

“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.