SCHEMBL4873237

SCHEMBL4873237

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)Cl)(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
FABP7 O15540 2/20 0.41
FABP5 Q01469 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
CHRM4 P08173 1/20 0.41
APP P05067 1/20 0.40
OPRM1 P35372 5/20 0.40
OPRD1 P41143 5/20 0.40
OPRK1 P41145 5/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
TET3 O43151 1/20 0.39
FBXL19 Q6PCT2 1/20 0.39
CXXC5 Q7LFL8 1/20 0.39
TET1 Q8NFU7 1/20 0.39
KDM2B Q8NHM5 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
SCHEMBL4879638 0.92 APP (0.43) HSD11B1FABP7FABP5KMT2AAPP
SCHEMBL119410 0.91 KMT2A (0.49) HSD11B1FABP7FABP5KMT2AMEN1
SCHEMBL4870754 0.85 TET3 (0.50) HSD11B1FABP7FABP5KMT2AAPP
SCHEMBL3015079 0.83 KMT2A (0.42) HSD11B1FABP7FABP5KMT2AMEN1
SCHEMBL30089214 0.83 KMT2A (0.42) FABP7FABP5KMT2AMEN1RAB9A
SCHEMBL22960725 0.83 KMT2A (0.42) FABP7FABP5KMT2AMEN1RAB9A
SCHEMBL7813068 0.83 KMT2A (0.42) HSD11B1FABP7FABP5KMT2AMEN1
SCHEMBL5221990 0.82 MEN1 (0.49) KMT2AMEN1RAB9AOPRM1OPRD1
SCHEMBL16004761 0.81 POLB (0.46) FABP7FABP5KMT2ALMNAPOLB
SCHEMBL13327274 0.81 POLB (0.52) FABP7FABP5KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP disclosed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 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 (1 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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B HSD11B1 2425/4885FABP7 751/4885FABP5 3087/4885

“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.