SCHEMBL12735977

SCHEMBL12735977

COC(=O)c1cccc(COc2ccc(OC3CCN(C(=O)Oc4cncc(C(=O)OC)c4)CC3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.50
FAAH O00519 2/20 0.49
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 5/20 0.44
TP53 P04637 4/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKDC P78527 1/20 0.41
PRMT5 O14744 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM1A O60341 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
SCHEMBL12735975 0.93 FAAH (0.48) MRGPRX4FAAHRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1532688 0.93 FAAH (0.47) MRGPRX4FAAHRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1532829 0.84 FAAH (0.54) FAAHSMN1; SMN2ALDH1A1TP53HTT
SCHEMBL29976154 0.83 FAAH (0.62) MRGPRX4FAAHHTTSIRT2SIRT1
SCHEMBL1532715 0.83 FAAH (0.62) MRGPRX4FAAHHTTSIRT2SIRT1
SCHEMBL16333042 0.82 FAAH (0.61) FAAHSIRT2SIRT1SIRT3MAOB
SCHEMBL12735967 0.81 FAAH (0.44) FAAHALDH1A1HTTKMT2APKM
SCHEMBL1533056 0.80 FAAH (0.47) FAAHALDH1A1HTTMEN1KMT2A
SCHEMBL1532838 0.80 FAAH (0.57) FAAHSIRT2SIRT1SIRT3PRMT5
SCHEMBL1532703 0.78 FAAH (0.56) FAAHKDM1AMAOB

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 15 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-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-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-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
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 (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 MRGPRX4 483/4885FAAH 1/4885RAB9A 2309/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 MRGPRX4 182/4885FAAH 1/4885RAB9A 1393/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 MRGPRX4 193/4885FAAH 1/4885RAB9A 1416/4885

“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.