SCHEMBL1395461

SCHEMBL1395461

CNC(O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.50
SRC P12931 1/20 0.50
KCNN4 O15554 2/20 0.43
TSHR P16473 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39

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
SCHEMBL754131 0.81 CES1 (0.47) CES1SRCKCNN4TSHRHDAC3
SCHEMBL1252890 0.81 CES1 (0.46) CES1SRCKCNN4TSHRHDAC3
SCHEMBL5483963 0.81 CES1 (0.46) CES1SRCKCNN4TSHRHDAC3
SCHEMBL4769359 0.80 KCNN4 (0.48) CES1SRCKCNN4TSHRHDAC3
SCHEMBL5928512 0.79 CES1 (0.45) CES1SRCKCNN4TSHRHDAC3
SCHEMBL27843769 0.78 CES1 (0.52) CES1SRCKCNN4TSHRHDAC3
SCHEMBL28180738 0.78 SRC (0.55) CES1SRCTSHRHDAC3HDAC1
SCHEMBL5843722 0.78 ALDH1A1 (0.44) CES1SRCKCNN4ALDH1A1RAB9A
Dimethylamine SCHEMBL6328605 0.77 CES1 (0.50) CES1SRCKCNN4TSHRHDAC3
SCHEMBL11667577 0.77 CES1 (0.42) CES1SRCKCNN4TSHRHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8444954-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-05-21 US disclosed
US-8420050-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 US disclosed
US-8420053-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 US disclosed
US-20120009122-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2012-01-12 US disclosed
US-20110250133-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2011-10-13 US disclosed
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 disclosed
US-20110052491-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2011-03-03 US disclosed
US-20100113549-A1 PYRROLIDINE COMPOUNDS ISIS INNOVATION LTD. (GB) 2010-05-06 US disclosed
US-20090175786-A1 Gastrin Releasing Peptide Compounds BRACCO IMAGING S.P.A. (IT) 2009-07-09 US disclosed
US-20080008649-A1 Gastrin Releasing Peptide Compounds BRACCO IMAGING S.P.A. (IT) 2008-01-10 US disclosed
US-20060018830-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-01-26 US 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 (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-20090175786-A1 Gastrin Releasing Peptide Compounds GRPR, SSTR5, GIPR CES1 4247/4885SRC 2068/4885KCNN4 2542/4885
US-20080008649-A1 Gastrin Releasing Peptide Compounds GRPR, SSTR5, GIPR CES1 4247/4885SRC 2068/4885KCNN4 2542/4885
US-20060018830-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR CES1 4348/4885SRC 2495/4885KCNN4 2142/4885
US-20120009122-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, CCKBR CES1 4348/4885SRC 2495/4885KCNN4 2142/4885
US-20110250133-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, GHRHR CES1 3966/4885SRC 3548/4885KCNN4 4329/4885
US-20110052491-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, CCKBR CES1 4792/4885SRC 3830/4885KCNN4 1294/4885
US-20100113549-A1 PYRROLIDINE COMPOUNDS PYCR1, PAH, DHPS CES1 3025/4885SRC 4551/4885KCNN4 2358/4885

“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.