SCHEMBL595183

SCHEMBL595183

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.60
HRH1 P35367 2/20 0.60
LMNA P02545 4/20 0.54
MAPT P10636 4/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
CHRM4 P08173 1/20 0.50
KCNA5 P22460 1/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
PDK2 Q15119 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL5237887 0.85 CHRM4 (0.52) HRH2HRH1LMNAMAPTGAA
SCHEMBL594349 0.85 HRH2 (0.52) HRH2HRH1LMNAMAPTGAA
SCHEMBL593725 0.79 MAPT (0.64) HRH2HRH1LMNAMAPTGAA
SCHEMBL5238137 0.77 KCNA5 (0.58) HRH2HRH1LMNAMAPTALDH1A1
SCHEMBL11665570 0.76 MAPT (0.71) LMNAMAPTGAAKDM4EALDH1A1
SCHEMBL3922515 0.75 LMNA (0.61) LMNAMAPTALDH1A1SMN1; SMN2CHRM4
SCHEMBL30627066 0.75 MAPT (0.69) LMNAMAPTGAAKDM4EALDH1A1
SCHEMBL14437994 0.74 KCNA5 (0.61) LMNAMAPTGAAKDM4EALDH1A1
SCHEMBL12814098 0.74 NPSR1 (0.55) LMNAMAPTGAAKDM4EALDH1A1
SCHEMBL5239162 0.73 MAPT (0.53) HRH2HRH1LMNAMAPTGAA

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
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-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 18/4885LMNA 4221/4885
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 194/4885LMNA 3431/4885

“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.