SCHEMBL1532790

SCHEMBL1532790

O=C(Oc1cccnc1)N1CCC(Oc2ccc(OCc3cccc(F)c3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.68
F10 P00742 3/20 0.47
GRIN2B Q13224 1/20 0.47
MAOB P27338 4/20 0.46
MAOA P21397 3/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
F2 P00734 1/20 0.45
ELANE P08246 1/20 0.45
NR4A2 P43354 1/20 0.44
BTK Q06187 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
ACACB O00763 1/20 0.44
AOC3 Q16853 1/20 0.44
PARP10 Q53GL7 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
SCHEMBL1532711 0.89 EPHX2 (0.52) FAAHGRIN2BMMP13MMP14ALDH1A1
Hydrochloric Acid SCHEMBL1532852 0.88 FAAH (0.53) FAAHMAOBMAOABTKALDH1A1
SCHEMBL1532715 0.87 FAAH (0.62) FAAHF10GRIN2BMAOBMAOA
SCHEMBL29976154 0.87 FAAH (0.62) FAAHF10GRIN2BMAOBMAOA
SCHEMBL12736284 0.86 FAAH (0.62) FAAHF10GRIN2BMAOBMAOA
SCHEMBL12736300 0.86 FAAH (0.64) FAAHF10GRIN2BMAOBMAOA
SCHEMBL16333042 0.86 FAAH (0.61) FAAHMAOBMAOAMMP13MMP14
SCHEMBL15048973 0.85 FAAH (0.63) FAAHF10GRIN2BMAOBMAOA
SCHEMBL1532791 0.85 FAAH (0.48) FAAHF10GRIN2BALDH1A1HTT
SCHEMBL2194934 0.84 FAAH (0.63) FAAHF10F2ELANE

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 20 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 claimed
EP-2607362-A1 Piperidine and piperazine carboxylates as FAAH inhibitors Astellas Pharma Inc. (JP) 2013-06-26 EP claimed
EP-2564849-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH PAINS IN URINARY ORGANS Astellas Pharma Inc. (JP) 2013-03-06 EP claimed
US-20130030006-A1 AGENT FOR PREVENTING OR TREATING DISEASES ACCOMPANIED BY URINARY PAIN ASTELLAS PHARMA INC. (JP) 2013-01-31 US claimed
US-7919494-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US claimed
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US claimed
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FMC CORPORATION (US) 2008-12-11 US claimed
EP-1849773-A1 PYRIDYL NON-AROMATIC NITROGENATED HETEROCYCLIC-1-CARBOXYLATE ESTER DERIVATIVE Astellas Pharma Inc. (JP) 2007-10-31 EP claimed
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
EP-2564849-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH PAINS IN URINARY ORGANS Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed
US-20130030006-A1 AGENT FOR PREVENTING OR TREATING DISEASES ACCOMPANIED BY URINARY PAIN ASTELLAS PHARMA INC. (JP) 2013-01-31 US 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-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
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 (4 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 1/4885F10 1360/4885GRIN2B 2437/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 FAAH 1/4885F10 1146/4885GRIN2B 3038/4885
US-20130030006-A1 AGENT FOR PREVENTING OR TREATING DISEASES ACCOMPANIED BY URINARY PAIN FAAH, FAAH2, PTGS1 FAAH 1/4885F10 1612/4885GRIN2B 2212/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 FAAH 1/4885F10 1137/4885GRIN2B 3054/4885

“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.