SCHEMBL1532799

SCHEMBL1532799

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HTT P42858 1/20 0.55
EPHX2 P34913 1/20 0.53
SPR P35270 1/20 0.48
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
NAMPT P43490 1/20 0.46
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44
FAAH O00519 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
SCHEMBL1532876 0.88 SPR (0.49) ALDH1A1HTTEPHX2SPRGAA
SCHEMBL1532711 0.86 EPHX2 (0.52) ALDH1A1HTTEPHX2GRIN2BNPC1
SCHEMBL1532790 0.81 FAAH (0.68) ALDH1A1HTTGRIN2BFAAH
SCHEMBL1653369 0.81 NPC1 (0.62) EPHX2NPC1RAB9AGAAFAAH
SCHEMBL1532824 0.81 FAAH (0.52) ALDH1A1HTTEPHX2NAMPTFAAH
Hydrochloric Acid SCHEMBL1532852 0.80 FAAH (0.53) ALDH1A1HTTSPRNPC1FAAH
SCHEMBL1532791 0.80 FAAH (0.48) ALDH1A1HTTEPHX2GRIN2BFAAH
SCHEMBL10040471 0.80 GAA (0.69) ALDH1A1NPC1RAB9AGAAFAAH
SCHEMBL1532792 0.79 DRD2 (0.52) ALDH1A1HTTGRIN1GRIN2BPKM
Oxalic Acid SCHEMBL5265472 0.79 FAAH (0.51) ALDH1A1HTTEPHX2NAMPTPKM

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 113/4885HTT 3696/4885EPHX2 341/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 ALDH1A1 133/4885HTT 4610/4885EPHX2 285/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 ALDH1A1 134/4885HTT 4599/4885EPHX2 271/4885

“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.