SCHEMBL1532876

SCHEMBL1532876

O=C(Oc1cccnc1)N1CCC(Oc2cccc(O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.49
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
FNTA P49354 3/20 0.45
FNTB P49356 3/20 0.45
GPR119 Q8TDV5 1/20 0.43
FAAH O00519 1/20 0.42
CHRM3 P20309 1/20 0.42
GAA P10253 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
SCHEMBL1532799 0.88 ALDH1A1 (0.55) SPREPHX2ALDH1A1HTTFAAH
SCHEMBL1532791 0.84 FAAH (0.48) EPHX2ALDH1A1HTTGPR119FAAH
Hydrochloric Acid SCHEMBL1532908 0.81 ALDH1A1 (0.46) SPREPHX2ALDH1A1HTTFNTA
SCHEMBL1532711 0.80 EPHX2 (0.52) EPHX2ALDH1A1HTTGPR119FAAH
SCHEMBL1532790 0.79 FAAH (0.68) ALDH1A1HTTFAAH
SCHEMBL1653369 0.79 NPC1 (0.62) EPHX2FNTAFNTBGPR119FAAH
Hydrochloric Acid SCHEMBL1532852 0.79 FAAH (0.53) SPRALDH1A1HTTFNTAFNTB
SCHEMBL10040471 0.78 GAA (0.69) ALDH1A1FNTAFNTBGPR119FAAH
SCHEMBL639943 0.78 GPR119 (0.63) SPREPHX2ALDH1A1HTTGPR119
SCHEMBL19610260 0.78 CHRM3 (0.53) EPHX2CHRM3

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-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
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 SPR 1313/4885EPHX2 341/4885ALDH1A1 113/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 SPR 1864/4885EPHX2 285/4885ALDH1A1 133/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 SPR 1830/4885EPHX2 271/4885ALDH1A1 134/4885

“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.