SCHEMBL2177229

SCHEMBL2177229

CNC(=O)COC(=O)N1CCN(CCc2cccc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 5/20 0.49
POLB P06746 2/20 0.49
FAAH O00519 2/20 0.47
ALDH1A1 P00352 5/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
MTNR1A P48039 1/20 0.44
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
HSD17B10 Q99714 2/20 0.43
OPRK1 P41145 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL27659279 0.84 ALDH1A1 (0.57) KDM4EPOLBFAAHALDH1A1MAPT
SCHEMBL5439945 0.83 FAAH (0.61) KMT2AKDM4EPOLBFAAHUSP2
SCHEMBL5447723 0.81 FAAH (0.57) KMT2AKDM4EPOLBFAAHMTNR1A
SCHEMBL2178528 0.80 HRH3 (0.51) KDM4EPOLBFAAHSIGMAR1
SCHEMBL18889424 0.80 ACHE (0.56) KMT2AKDM4EPOLBFAAHADRA1D
SCHEMBL5235922 0.80 HTR1A (0.51) KMT2AKDM4EPOLBFAAHALDH1A1
SCHEMBL2175738 0.78 FAAH (0.52) KMT2AKDM4EPOLBFAAHGAA
SCHEMBL2178066 0.77 FAAH (0.48) KMT2APOLBFAAHGAASIGMAR1
SCHEMBL5482956 0.77 FAAH (0.57) KMT2AKDM4EFAAHALDH1A1LMNA
SCHEMBL2176717 0.77 SIGMAR1 (0.52) FAAHSIGMAR1

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 KMT2A 2247/4885KDM4E 2085/4885POLB 3529/4885
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 KMT2A 2218/4885KDM4E 2141/4885POLB 3562/4885

“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.