SCHEMBL296197

SCHEMBL296197

O=C(O)Cn1cnc2ccc(N3CCNCC3)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 18/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL30202377 1.00 ENPP2 (0.49) ENPP2HDAC6
Hydrochloric Acid SCHEMBL1921111 0.99 ENPP2 (0.49) ENPP2HDAC6
SCHEMBL3056004 0.96 ENPP2 (0.47) ENPP2HDAC6
SCHEMBL1921277 0.89 HDAC6 (0.51) ENPP2HDAC6
SCHEMBL18130455 0.84 ENPP2 (0.67) ENPP2
SCHEMBL1919522 0.79 ENPP2 (0.44) ENPP2
SCHEMBL1920629 0.79 CYP3A4 (0.45)
SCHEMBL1919429 0.76 ENPP2 (0.55) ENPP2
SCHEMBL25067211 0.75 ENPP2 (0.55) ENPP2
SCHEMBL10085099 0.75 HDAC6 (0.61) HDAC6

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 144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488195-A2 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-22 EP claimed
EP-1962959-B1 NEUROPEPTIDE-2 RECEPTOR-AGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP claimed
JP-4836455-B2 2011-12-14 JP claimed
CN-102167728-A Improved gastrin releasing peptide compounds BRACCO IMAGING SPA 2011-08-31 CN claimed
EP-2352511-A2 NEUROPEPTIDE-2-RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-08-10 EP claimed
US-20110172147-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS CONDE-KNAPE KARIN 2011-07-14 US claimed
WO-2011045232-A2 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO claimed
US-7922998-B2 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2011-04-12 US claimed
US-7850947-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2010-12-14 US claimed
US-20100179093-A1 Neoropeptide-2-Receptor (Y-2R) Agonists DANHO WALEED 2010-07-15 US claimed
WO-2007065808-A2 NEUROPEPTIDE-2 RECEPTOR-AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO claimed
WO-2007002500-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2007-01-04 WO claimed
US-20060239914-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-10-26 US claimed
US-20060239923-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-10-26 US claimed
CN-1738650-A Improved gastrin releasing peptide compounds BRACCO IMAGING SPA (IT) 2006-02-22 CN claimed
US-20060018830-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-01-26 US claimed
EP-1585549-A2 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS Bracco Imaging S.p.A. (IT) 2005-10-19 EP claimed
US-20040253225-A1 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2004-12-16 US claimed
WO-2004065407-A2 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2004-08-05 WO claimed
US-20040136906-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2004-07-15 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20060239914-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR ENPP2 708/4885HDAC6 3706/4885
US-20100179093-A1 Neoropeptide-2-Receptor (Y-2R) Agonists NPY2R, NPY1R, NPY4R ENPP2 315/4885HDAC6 2928/4885
US-20110172147-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS NPY2R, NPY1R, NPY4R ENPP2 233/4885HDAC6 2104/4885
US-20040253225-A1 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy GRPR, MLNR, NPBWR1 ENPP2 550/4885HDAC6 2653/4885
US-20060239923-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR ENPP2 443/4885HDAC6 3691/4885
US-20060018830-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR ENPP2 708/4885HDAC6 3706/4885
US-20040136906-A1 Gastrin releasing peptide compounds GRPR, GIPR, MLNR ENPP2 574/4885HDAC6 3052/4885

“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.