SCHEMBL594349

SCHEMBL594349

CNC(=O)COC(=O)N1CCN(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
CHRM4 P08173 4/20 0.50
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KCNA5 P22460 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 4/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
FAAH O00519 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5238043 0.87 CA12 (0.50) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL594929 0.86 SMN1; SMN2 (0.51) HRH2HRH1ALDH1A1LMNASMN1; SMN2
SCHEMBL5237887 0.85 CHRM4 (0.52) HRH2HRH1CHRM4ALDH1A1LMNA
SCHEMBL5239244 0.85 ALDH1A1 (0.52) CHRM4ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL595183 0.85 HRH2 (0.60) HRH2HRH1CHRM4ALDH1A1LMNA
SCHEMBL5239162 0.84 MAPT (0.53) HRH2HRH1ALDH1A1LMNASMN1; SMN2
SCHEMBL5233512 0.84 MAPT (0.51) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL5238067 0.83 CA12 (0.53) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL5236702 0.83 FAAH (0.57) HRH2HRH1ALDH1A1LMNASMN1; SMN2
SCHEMBL593717 0.83 SMN1; SMN2 (0.48) HRH2HRH1ALDH1A1LMNASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed
US-8114866-B2 Derivatives of 1-piperazine- and 1-homopiperazine-carboxylates, preparation method thereof and use of same as inhibitors of the FAAH enzyme SANOFI-AVENTIS (FR) 2012-02-14 US disclosed
US-8114866-B2 Derivatives of 1-piperazine- and 1-homopiperazine-carboxylates, preparation method thereof and use of same as inhibitors of the FAAH enzyme SANOFI-AVENTIS (FR) 2012-02-14 US disclosed
US-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-EVENTIS (FR) 2010-06-03 US disclosed
US-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-EVENTIS (FR) 2010-06-03 US disclosed
US-7687503-B2 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders SANOFI-AVENTIS (FR) 2010-03-30 US disclosed
US-20060293310-A1 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders SANOFI-AVENTIS (FR) 2006-12-28 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-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME FAAH, FAAH2, CNR1 HRH2 21/4885HRH1 18/4885CHRM4 3562/4885
US-20060293310-A1 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders FAAH, FAAH2, APEH HRH2 104/4885HRH1 194/4885CHRM4 3275/4885

“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.