SCHEMBL1532829

SCHEMBL1532829

O=C(O)c1cncc(OC(=O)N2CCC(Oc3ccc(OCc4ccccc4)cc3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.54
HTT P42858 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GFER P55789 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NR4A2 P43354 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
SRD5A1 P18405 1/20 0.44
ALDH1A1 P00352 1/20 0.44
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
PRMT5 O14744 2/20 0.43
MGLL Q99685 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SRD5A2 P31213 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL29976154 0.91 FAAH (0.62) FAAHHTTMEN1KMT2AGFER
SCHEMBL1532715 0.91 FAAH (0.62) FAAHHTTMEN1KMT2AGFER
SCHEMBL1532688 0.91 FAAH (0.47) FAAHHTTMEN1KMT2AGFER
SCHEMBL1532824 0.87 FAAH (0.52) FAAHHTTMEN1KMT2AGFER
SCHEMBL1532711 0.85 EPHX2 (0.52) FAAHHTTMEN1KMT2AALDH1A1
Oxalic Acid SCHEMBL5265472 0.85 FAAH (0.51) FAAHHTTMEN1KMT2AGFER
SCHEMBL12735977 0.84 MRGPRX4 (0.50) FAAHHTTMEN1KMT2AALDH1A1
SCHEMBL12736345 0.83 MEN1 (0.55) FAAHHTTMEN1KMT2AGFER
SCHEMBL16333042 0.83 FAAH (0.61) FAAHOPRK1KCNH2SIRT2
SCHEMBL12735975 0.82 FAAH (0.48) FAAHHTTALDH1A1PRMT5SIRT2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607362-B1 Piperidine and piperazine carboxylates as FAAH inhibitors ASTELLAS PHARMA INC (JP) 2014-12-31 EP disclosed
EP-1849773-B1 Piperazine derivatives for the treatment of urinary incontinence and pain ASTELLAS PHARMA INC (JP) 2013-10-16 EP disclosed
EP-2607362-A1 Piperidine and piperazine carboxylates as FAAH inhibitors Astellas Pharma Inc. (JP) 2013-06-26 EP disclosed
US-7919494-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7919495-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7915261-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-03-29 US disclosed
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FMC CORPORATION (US) 2008-12-11 US disclosed
EP-1849773-A1 PYRIDYL NON-AROMATIC NITROGENATED HETEROCYCLIC-1-CARBOXYLATE ESTER DERIVATIVE Astellas Pharma Inc. (JP) 2007-10-31 EP 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 (3 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-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FAAH, FAAH2, APEH FAAH 1/4885HTT 3696/4885MEN1 4843/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 FAAH 1/4885HTT 4610/4885MEN1 4731/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 FAAH 1/4885HTT 4599/4885MEN1 4727/4885

“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.