SCHEMBL1532952

SCHEMBL1532952

Oc1cncc(C2CNCCO2)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.61
DRD3 P35462 1/20 0.61
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HTR1A P08908 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
SCHEMBL27996891 0.83 DRD2 (0.48) DRD2DRD3
SCHEMBL5784105 0.82 DRD2 (0.71) DRD2DRD3SLC6A3KCNH2TAAR1
SCHEMBL25170289 0.81 HTR1A (0.47) DRD2DRD3HTR1A
SCHEMBL30402791 0.81 HTR1A (0.47) DRD2DRD3HTR1A
SCHEMBL28029239 0.81 DRD2 (0.47) DRD2DRD3SLC6A3KCNH2TAAR1
Hydrochloric Acid SCHEMBL34473265 0.80 SLC6A3 (0.57) SLC6A3KCNH2TAAR1
SCHEMBL27455955 0.79 SLC6A3 (0.56) SLC6A3KCNH2TAAR1
SCHEMBL25175858 0.78 DRD2 (0.49) DRD2DRD3
SCHEMBL323312 0.76 DRD3 (1.00) DRD2DRD3HTR1A
SCHEMBL323436 0.75 DRD2 (0.66) DRD2DRD3

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 10 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
EP-2607362-A1 Piperidine and piperazine carboxylates as FAAH inhibitors Astellas Pharma Inc. (JP) 2013-06-26 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-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 (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 DRD2 2051/4885DRD3 2494/4885SLC6A3 1204/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 DRD2 2047/4885DRD3 2696/4885SLC6A3 1359/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 DRD2 2101/4885DRD3 2723/4885SLC6A3 1391/4885

“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.