SCHEMBL1532795

SCHEMBL1532795

NC(=O)c1cncc(OC(=O)N2CCC(CCc3cccc(F)c3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.52
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
SIRT2 Q8IXJ6 4/20 0.44
SIRT1 Q96EB6 4/20 0.44
SIRT3 Q9NTG7 4/20 0.44
GRIN2B Q13224 1/20 0.43
MGLL Q99685 2/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
PARP14 Q460N5 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PARP10 Q53GL7 3/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1532748 0.92 FAAH (0.54) FAAHMAOBSIRT2SIRT1SIRT3
SCHEMBL1532848 0.89 FAAH (0.61) FAAHMAOBSIRT2SIRT1SIRT3
SCHEMBL27670324 0.88 PARP10 (0.51) FAAHMAOBMAOAGRIN2BMGLL
SCHEMBL1532641 0.87 MGLL (0.55) FAAHMGLLOPRK1KCNH2PARP14
SCHEMBL1532872 0.86 FAAH (0.50) FAAHSIRT2SIRT1SIRT3MGLL
SCHEMBL3487739 0.86 FAAH (0.49) FAAHMAOBSIRT2SIRT1SIRT3
SCHEMBL1532764 0.86 FAAH (0.49) FAAHMAOBSIRT2SIRT1SIRT3
SCHEMBL1532863 0.86 FAAH (0.49) FAAHSIRT2SIRT1SIRT3MGLL
SCHEMBL16333042 0.81 FAAH (0.61) FAAHMAOBMAOASIRT2SIRT1
SCHEMBL1532565 0.81 FAAH (0.71) FAAHGRIN2BMGLLKMT2A

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-1849773-B1 Piperazine derivatives for the treatment of urinary incontinence and pain ASTELLAS PHARMA INC (JP) 2013-10-16 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
CN-102858340-A Prophylactic or therapeutic agent for diseases associated with pains in urinary organs ASTELLAS PHARMA INC 2013-01-02 CN claimed
US-7915261-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-03-29 US claimed
US-20100009971-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-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
CN-102858340-A Prophylactic or therapeutic agent for diseases associated with pains in urinary organs ASTELLAS PHARMA INC 2013-01-02 CN 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-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 (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 1/4885MAOB 156/4885MAOA 192/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 FAAH 1/4885MAOB 40/4885MAOA 60/4885
US-20130030006-A1 AGENT FOR PREVENTING OR TREATING DISEASES ACCOMPANIED BY URINARY PAIN FAAH, FAAH2, PTGS1 FAAH 1/4885MAOB 739/4885MAOA 722/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 FAAH 1/4885MAOB 42/4885MAOA 61/4885

“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.