SCHEMBL173699

SCHEMBL173699

O=C(O)CN1CN(c2ccccc2)C2(CCNCC2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.59
NPC1L1 Q9UHC9 7/20 0.53
HSD17B10 Q99714 1/20 0.50
OPRM1 P35372 5/20 0.49
OPRK1 P41145 5/20 0.49
OPRL1 P41146 5/20 0.47
OPRD1 P41143 3/20 0.47
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
DDR1 Q08345 1/20 0.45
ENPP2 Q13822 2/20 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
SCHEMBL1526856 0.93 BDKRB2 (0.56) BDKRB2NPC1L1HSD17B10OPRM1OPRK1
SCHEMBL12893390 0.90 BDKRB2 (0.74) BDKRB2NPC1L1HSD17B10OPRM1OPRK1
SCHEMBL1640719 0.87 OPRM1 (0.57) BDKRB2NPC1L1OPRM1OPRK1OPRL1
SCHEMBL20187220 0.87 OPRL1 (0.63) BDKRB2NPC1L1HSD17B10OPRM1OPRK1
SCHEMBL1415422 0.86 HSD17B10 (0.52) BDKRB2NPC1L1HSD17B10OPRM1OPRK1
SCHEMBL20822346 0.86 DDR1 (0.58) BDKRB2NPC1L1OPRM1OPRK1OPRL1
SCHEMBL18972830 0.85 BDKRB2 (0.55) BDKRB2NPC1L1HSD17B10OPRM1OPRK1
Hydrochloric Acid SCHEMBL20187149 0.85 DDR1 (0.57) BDKRB2NPC1L1OPRM1OPRK1OPRL1
SCHEMBL11876831 0.84 OPRL1 (0.64) BDKRB2NPC1L1HSD17B10OPRM1OPRK1
SCHEMBL20187099 0.84 DDR1 (0.64) BDKRB2NPC1L1DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 US claimed
US-8088890-B2 Peptides and peptidomimetic compounds, the manufacturing thereof as well as their use for preparing a therapeutically and/or preventively active pharmaceutical composition FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-03 US 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
EP-2281580-A2 Labeled gastrin releasing peptides (GRP) Bracco Imaging S.p.A (IT) 2011-02-09 EP claimed
EP-2274328-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-01-19 EP claimed
US-7850947-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2010-12-14 US claimed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 US claimed
WO-2010043444-A2 PHARMACEUTICAL PREPARATION FOR THE TREATMENT AND/OR PREVENTION OF ISCHEMIA/REPERFUSION INJURY AND THE SEQUELS THEREOF FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 WO claimed
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 US claimed
WO-2009137850-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 WO claimed
US-7226577-B2 Gastrin releasing peptide compounds BRACCO IMAGING, S. P. A. (IT) 2007-06-05 US 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
WO-2005122379-A9 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY UNIV CALIFORNIA (US) 2006-03-09 WO claimed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US claimed
US-20060018830-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-01-26 US claimed
WO-2005122379-A2 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 WO 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
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 (8 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-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 BDKRB2 420/4885NPC1L1 4328/4885HSD17B10 4762/4885
US-20060239914-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR BDKRB2 116/4885NPC1L1 2117/4885HSD17B10 4843/4885
US-20040253225-A1 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy GRPR, MLNR, NPBWR1 BDKRB2 170/4885NPC1L1 846/4885HSD17B10 4878/4885
US-20060239923-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR BDKRB2 253/4885NPC1L1 1555/4885HSD17B10 4866/4885
US-20060018830-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR BDKRB2 116/4885NPC1L1 2117/4885HSD17B10 4843/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 BDKRB2 1027/4885NPC1L1 3993/4885HSD17B10 4810/4885
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION NGLY1, GHRHR, GHSR BDKRB2 376/4885NPC1L1 4295/4885HSD17B10 955/4885
US-20040136906-A1 Gastrin releasing peptide compounds GRPR, GIPR, MLNR BDKRB2 757/4885NPC1L1 843/4885HSD17B10 4863/4885

“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.