SCHEMBL2176962

SCHEMBL2176962

CNC(=O)COC(=O)N1CCN(CCCOc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
DRD2 P14416 11/20 0.52
HTR2A P28223 11/20 0.52
HTR1A P08908 9/20 0.52
HRH2 P25021 3/20 0.47
HRH1 P35367 3/20 0.47
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 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
SCHEMBL2175662 0.92 MEN1 (0.52) ALDH1A1SMN1; SMN2KMT2AL3MBTL1DRD2
SCHEMBL2177120 0.89 HRH2 (0.49) ALDH1A1HRH2HRH1
SCHEMBL2174992 0.84 HRH2 (0.52) ALDH1A1SMN1; SMN2KMT2ADRD2HTR2A
SCHEMBL2175897 0.84 TSHR (0.56) ALDH1A1SMN1; SMN2KMT2AHRH2HRH1
SCHEMBL2177014 0.82 HRH2 (0.54) ALDH1A1SMN1; SMN2KMT2AHRH2HRH1
SCHEMBL2177380 0.81 HRH2 (0.71) DRD2HRH2HRH1
SCHEMBL5486856 0.80 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KMT2AGAAL3MBTL1
SCHEMBL2179409 0.79 HRH2 (0.55) HRH2HRH1
SCHEMBL27659279 0.78 ALDH1A1 (0.57) ALDH1A1HTR2AKDM4EALOX15TDP1
SCHEMBL2175558 0.76 FAAH (0.50) KMT2ADRD2HTR2AHTR1AHRH2

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 ALDH1A1 1244/4885SMN1; SMN2 4205/4885KMT2A 2247/4885
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 ALDH1A1 1387/4885SMN1; SMN2 4158/4885KMT2A 2218/4885

“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.