SCHEMBL2175897

SCHEMBL2175897

CNC(=O)COC(=O)N1CCN(CCCOc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
HPGD P15428 5/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
KCNA5 P22460 1/20 0.50
THRB P10828 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
FAAH O00519 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
NLRP1 Q9C000 1/20 0.46

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
SCHEMBL2174992 0.92 HRH2 (0.52) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL2175662 0.88 MEN1 (0.52) TSHRALDH1A1MEN1KMT2AHRH2
SCHEMBL2177380 0.85 HRH2 (0.71) HRH2HRH1FAAH
SCHEMBL2177014 0.84 HRH2 (0.54) TSHRALDH1A1MEN1KMT2AHRH2
SCHEMBL2176962 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHRH2HRH1
SCHEMBL2179409 0.83 HRH2 (0.55) HRH2HRH1FAAH
SCHEMBL2177120 0.82 HRH2 (0.49) ALDH1A1HRH2HRH1FAAH
SCHEMBL4306833 0.81 FAAH (0.46) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL4309408 0.81 FAAH (0.45) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL5480294 0.80 HPGD (0.61) TSHRHPGDALDH1A1MEN1KMT2A

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 TSHR 1149/4885HPGD 182/4885ALDH1A1 1244/4885
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 TSHR 1087/4885HPGD 192/4885ALDH1A1 1387/4885

“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.