SCHEMBL4870754

SCHEMBL4870754

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TET3 O43151 2/20 0.50
KMT2A Q03164 2/20 0.50
FBXL19 Q6PCT2 2/20 0.50
CXXC5 Q7LFL8 2/20 0.50
KDM2B Q8NHM5 2/20 0.50
CXXC4 Q9H2H0 2/20 0.50
KDM2A Q9Y2K7 2/20 0.50
APP P05067 2/20 0.45
HSD11B1 P28845 10/20 0.43
TET1 Q8NFU7 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
OPRM1 P35372 1/20 0.41
CYP2D6 P10635 1/20 0.40
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL119410 0.92 KMT2A (0.49) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL4879638 0.91 APP (0.43) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL30089214 0.89 KMT2A (0.42) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL22960725 0.89 KMT2A (0.42) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL3015079 0.89 KMT2A (0.42) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL5197854 0.86 OPRM1 (0.47) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL4873237 0.85 HSD11B1 (0.43) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL7813068 0.84 KMT2A (0.42) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL6519788 0.81 KMT2A (0.42) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL28864147 0.79 EPHX2 (0.44) KMT2AFABP7FABP5

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 TET3 4377/4885KMT2A 1763/4885FBXL19 1866/4885

“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.