SCHEMBL1532824

SCHEMBL1532824

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
SRD5A1 P18405 1/20 0.45
SRD5A2 P31213 1/20 0.44
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX2 P34913 2/20 0.41
SCD5 Q86SK9 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2J2 P51589 1/20 0.40
PRMT5 O14744 1/20 0.40
CHRM2 P08172 1/20 0.40
MAP4K4 O95819 1/20 0.40
NAMPT P43490 1/20 0.39

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
Oxalic Acid SCHEMBL5265472 0.98 FAAH (0.51) FAAHALDH1A1HTTSRD5A1SRD5A2
SCHEMBL5265477 0.88 ALDH1A1 (0.44) FAAHALDH1A1HTTPRMT5MAP4K4
SCHEMBL1532829 0.87 FAAH (0.54) FAAHALDH1A1HTTSRD5A1SRD5A2
SCHEMBL1532673 0.82 FAAH (0.54) FAAHALDH1A1HTTKMT2ANAMPT
SCHEMBL1532715 0.82 FAAH (0.62) FAAHHTTMEN1GFERKMT2A
SCHEMBL29976154 0.82 FAAH (0.62) FAAHHTTMEN1GFERKMT2A
SCHEMBL1532799 0.81 ALDH1A1 (0.55) FAAHALDH1A1HTTEPHX2NAMPT
SCHEMBL19473362 0.80 PRMT5 (0.45) FAAHALDH1A1HTTSRD5A1SRD5A2
SCHEMBL17559499 0.79 PRMT5 (0.44) FAAHALDH1A1HTTSRD5A1SRD5A2
SCHEMBL1532688 0.78 FAAH (0.47) FAAHALDH1A1HTTMEN1GFER

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 8 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
US-7919495-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7919494-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-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009971-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

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 1/4885ALDH1A1 113/4885HTT 3696/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 FAAH 1/4885ALDH1A1 133/4885HTT 4610/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 FAAH 1/4885ALDH1A1 134/4885HTT 4599/4885

“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.