SCHEMBL1532658

SCHEMBL1532658

O=C(Oc1cccnc1)N1CCN(C(=O)c2ccc(OCC3CCCCCCC3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HTT P42858 1/20 0.50
JAK2 O60674 1/20 0.47
PARP15 Q460N3 3/20 0.47
PARP10 Q53GL7 3/20 0.47
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
PKM P14618 1/20 0.44
RBP4 P02753 1/20 0.44
GAA P10253 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL12508860 0.82 NAMPT (0.50) ALDH1A1HTTJAK2PARP15PARP10
SCHEMBL12508867 0.82 NAMPT (0.50) ALDH1A1HTTJAK2PARP15PARP10
SCHEMBL12509253 0.82 NAMPT (0.50) ALDH1A1HTTJAK2PARP15PARP10
SCHEMBL12509187 0.81 FAAH (0.49) ALDH1A1HTTJAK2
SCHEMBL1532603 0.81 SLC6A7 (0.63) ALDH1A1DRD2DRD3HTTCCNC
Hydrochloric Acid SCHEMBL1532908 0.80 ALDH1A1 (0.46) ALDH1A1HTT
SCHEMBL1532792 0.79 DRD2 (0.52) ALDH1A1DRD2DRD3HTTPKM
SCHEMBL12508563 0.79 FAAH (0.49) ALDH1A1HTTJAK2
SCHEMBL12508569 0.77 PARP15 (0.46) ALDH1A1HTTJAK2PARP15PARP10
SCHEMBL12509401 0.77 HTR2A (0.51) ALDH1A1DRD2DRD3HTTJAK2

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-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-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 ALDH1A1 113/4885DRD2 2051/4885DRD3 2494/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 ALDH1A1 133/4885DRD2 2047/4885DRD3 2696/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 ALDH1A1 134/4885DRD2 2101/4885DRD3 2723/4885

“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.