SCHEMBL1532641

SCHEMBL1532641

N#Cc1cccc(CCC2CCN(C(=O)Oc3cncc(C(N)=O)c3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.55
FAAH O00519 2/20 0.51
CHRM4 P08173 1/20 0.44
KDM1A O60341 1/20 0.42
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
PARP14 Q460N5 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
SCHEMBL1532614 0.92 FAAH (0.60) MGLLFAAHCHRM4
SCHEMBL1532748 0.90 FAAH (0.54) MGLLFAAHKDM1AOPRK1KCNH2
SCHEMBL1532912 0.90 MGLL (0.54) MGLLFAAHCHRM4
SCHEMBL1532848 0.88 FAAH (0.61) MGLLFAAHOPRK1KCNH2PARP14
SCHEMBL1532795 0.87 FAAH (0.52) MGLLFAAHOPRK1KCNH2PARP14
SCHEMBL1532872 0.85 FAAH (0.50) MGLLFAAHOPRK1KCNH2PARP14
SCHEMBL1532764 0.84 FAAH (0.49) MGLLFAAHKDM1AOPRK1KCNH2
SCHEMBL3487739 0.84 FAAH (0.49) MGLLFAAHOPRK1KCNH2PARP14
SCHEMBL1532863 0.84 FAAH (0.49) MGLLFAAHOPRK1KCNH2PARP14
SCHEMBL29976303 0.80 FAAH (0.71) MGLLFAAH

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 21 patents — showing the first 20. 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-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
CN-102858340-A Prophylactic or therapeutic agent for diseases associated with pains in urinary organs ASTELLAS PHARMA INC 2013-01-02 CN 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 MGLL 447/4885FAAH 1/4885CHRM4 1319/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 MGLL 578/4885FAAH 1/4885CHRM4 1238/4885
US-20130030006-A1 AGENT FOR PREVENTING OR TREATING DISEASES ACCOMPANIED BY URINARY PAIN FAAH, FAAH2, PTGS1 MGLL 731/4885FAAH 1/4885CHRM4 2100/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 MGLL 565/4885FAAH 1/4885CHRM4 1299/4885

“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.