SCHEMBL896355

SCHEMBL896355

O=C(Nc1ccc(N2CCCCC2)nc1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
DGAT1 O75907 5/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
RAD51 Q06609 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
SOAT1 P35610 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL29739388 1.00 GAA (0.52) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL29739356 0.99 MAPT (0.53) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL14659243 0.99 MAPT (0.53) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL29739547 0.96 ALDH1A1 (0.53) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL14658673 0.96 ALDH1A1 (0.53) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL29739477 0.88 GAA (0.68) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL896528 0.88 RAB9A (0.60) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL29739339 0.88 RAB9A (0.60) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL29739757 0.86 ALDH1A1 (0.48) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL2825785 0.85 KDM4E (0.48) GAAMAPTALDH1A1KDM4EKMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
EP-1695977-A2 Spiro [isobenzofuran-1,4'piperidin]-3-ones and 3H-spiroisobenzofuran-1, 4'-piperidines Neurogen Corporation (US) 2006-08-30 EP disclosed
US-20060040964-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines BAKTHAVATCHALAM RAJAGOPAL 2006-02-23 US disclosed
US-6943199-B2 Spiro[isobenzofuran-1,4′-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4′-piperidines NEUROGEN CORPORATION (US) 2005-09-13 US disclosed
US-20050033048-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3h-spiroisobenzofuran-1,4'-piperidines NEUROGEN CORPORATION 2005-02-10 US disclosed
US-20040072847-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NEUROGEN CORPORATION 2004-04-15 US disclosed
EP-1347982-A2 SPIRO ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONES AND 3H-SPIROISOBENZOFURAN-1,4'-PIPERIDINES Neurogen Corporation (US) 2003-10-01 EP disclosed
US-6566367-B2 For therapy of eating disorders such as obesity or bulimia, psychiatric disorders, diabetes and cardiovascular disorders such as hypertension in humans, domesticated companion animals and livestock animals PFIZER INC. 2003-05-20 US disclosed
US-20030036652-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NEUROGEN CORPORATION 2003-02-20 US disclosed
WO-2002048152-A2 SPIRO[ISOBENZOFURAN-1,4'-PIPERIDIN]-3-ONES AND 3H-SPIROISOBENZOFURAN-1,4'-PIPERIDINES NEUROGEN CORPORATION (US) 2002-06-20 WO 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 (5 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-20040072847-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NPY5R, NPY4R, NPY1R GAA 1216/4885MAPT 4011/4885ALDH1A1 1204/4885
US-20030036652-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NPY5R, NPY4R, NPY1R GAA 1216/4885MAPT 4011/4885ALDH1A1 1204/4885
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH GAA 801/4885MAPT 1489/4885ALDH1A1 709/4885
US-20060040964-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3H-spiroisobenzofuran-1,4'-piperidines NPY5R, NPY4R, SSTR5 GAA 969/4885MAPT 3981/4885ALDH1A1 1327/4885
US-20050033048-A1 Spiro[isobenzofuran-1,4'-piperidin]-3-ones and 3h-spiroisobenzofuran-1,4'-piperidines NPY5R, NPY4R, SSTR5 GAA 980/4885MAPT 3979/4885ALDH1A1 1332/4885

“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.