SCHEMBL1532711

SCHEMBL1532711

O=C(Oc1cccnc1)N1CCC(Oc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
FAAH O00519 1/20 0.52
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
GRIN2B Q13224 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM4 P08173 1/20 0.47
RAB9A P51151 2/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL1532791 0.92 FAAH (0.48) EPHX2FAAHALDH1A1HTTCYP3A4
SCHEMBL1532790 0.89 FAAH (0.68) FAAHALDH1A1HTTGRIN2BMMP13
Hydrochloric Acid SCHEMBL1532852 0.88 FAAH (0.53) FAAHALDH1A1HTTNPC1
SCHEMBL1532799 0.86 ALDH1A1 (0.55) EPHX2FAAHALDH1A1HTTGRIN2B
SCHEMBL1532829 0.85 FAAH (0.54) FAAHALDH1A1HTTMEN1KMT2A
SCHEMBL1532603 0.83 SLC6A7 (0.63) ALDH1A1HTTCYP2C9MEN1KMT2A
SCHEMBL1532688 0.82 FAAH (0.47) FAAHALDH1A1HTTMEN1KMT2A
SCHEMBL12509199 0.82 MEN1 (0.61) EPHX2FAAHCYP3A4CYP2D6CYP2C9
SCHEMBL19610351 0.80 FAAH (0.52) FAAHALDH1A1HTTRAB9AMMP13
SCHEMBL1532876 0.80 SPR (0.49) EPHX2FAAHALDH1A1HTTGPR119

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