SCHEMBL1532748

SCHEMBL1532748

NC(=O)c1cccc(CCC2CCN(C(=O)Oc3cncc(C(N)=O)c3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.54
PARP14 Q460N5 1/20 0.47
MGLL Q99685 2/20 0.44
OPRK1 P41145 4/20 0.44
KCNH2 Q12809 2/20 0.44
SIRT2 Q8IXJ6 5/20 0.42
SIRT3 Q9NTG7 5/20 0.42
SIRT1 Q96EB6 4/20 0.42
MAOB P27338 2/20 0.41
OPRM1 P35372 1/20 0.40
KDM1A O60341 1/20 0.40
ACHE P22303 1/20 0.39
BCHE P06276 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
SCHEMBL1532872 0.93 FAAH (0.50) FAAHPARP14MGLLOPRK1KCNH2
SCHEMBL1532848 0.92 FAAH (0.61) FAAHPARP14MGLLOPRK1KCNH2
SCHEMBL1532863 0.92 FAAH (0.49) FAAHPARP14MGLLOPRK1KCNH2
SCHEMBL1532764 0.92 FAAH (0.49) FAAHPARP14MGLLOPRK1KCNH2
SCHEMBL3487739 0.92 FAAH (0.49) FAAHPARP14MGLLOPRK1KCNH2
SCHEMBL1532795 0.92 FAAH (0.52) FAAHPARP14MGLLOPRK1KCNH2
SCHEMBL1532641 0.90 MGLL (0.55) FAAHPARP14MGLLOPRK1KCNH2
SCHEMBL1532788 0.85 FAAH (0.50) FAAHMGLL
SCHEMBL29976303 0.84 FAAH (0.71) FAAHMGLL
SCHEMBL1532565 0.84 FAAH (0.71) FAAHMGLL

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 19 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-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 1/4885PARP14 2325/4885MGLL 447/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 FAAH 1/4885PARP14 1629/4885MGLL 578/4885
US-20130030006-A1 AGENT FOR PREVENTING OR TREATING DISEASES ACCOMPANIED BY URINARY PAIN FAAH, FAAH2, PTGS1 FAAH 1/4885PARP14 2005/4885MGLL 731/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 FAAH 1/4885PARP14 1606/4885MGLL 565/4885

“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.