SCHEMBL593040

SCHEMBL593040

CCOC(=O)COC(=O)N1CCN(c2ccc(Cl)nn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
PANK3 Q9H999 8/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
DPP4 P27487 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL9310615 0.93 NPSR1 (0.57) NPSR1PANK3SMN1; SMN2HPGDRAB9A
SCHEMBL1976268 0.81 MEN1 (0.50) PANK3SMN1; SMN2HTTMEN1KMT2A
SCHEMBL388013 0.81 TRPV1 (0.54) NPSR1PANK3SMN1; SMN2HPGDHTT
SCHEMBL1877788 0.81 PANK3 (0.58) NPSR1PANK3SMN1; SMN2HTTMEN1
SCHEMBL594719 0.78 SMN1; SMN2 (0.60) NPSR1PANK3SMN1; SMN2HPGDRAB9A
SCHEMBL5646412 0.77 MEN1 (0.52) NPSR1PANK3SMN1; SMN2RAB9AHTT
SCHEMBL1433407 0.76 TRPV1 (0.57) PANK3SMN1; SMN2MAPTHTTMEN1
SCHEMBL30778281 0.76 TRPV1 (0.57) PANK3SMN1; SMN2MAPTHTTMEN1
SCHEMBL28473595 0.76 ALDH1A1 (0.58) SMN1; SMN2MAPTHTTMEN1KMT2A
SCHEMBL594735 0.75 CNR2 (0.54) NPSR1SMN1; SMN2HPGDRAB9AMAPT

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 NPSR1 53/4885PANK3 2924/4885SMN1; SMN2 2237/4885
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 NPSR1 103/4885PANK3 1860/4885SMN1; SMN2 1210/4885

“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.