SCHEMBL3444142

SCHEMBL3444142

CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.55
EPHX2 P34913 2/20 0.53
SCN9A Q15858 1/20 0.52
LIPE Q05469 2/20 0.51
ALOX5AP P20292 2/20 0.49
FEN1 P39748 2/20 0.49
GPR119 Q8TDV5 4/20 0.49
KDM1A O60341 1/20 0.45
ACKR3 P25106 1/20 0.45
CHRNA7 P36544 1/20 0.44
KAT7 O95251 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43

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
SCHEMBL3444143 1.00 CHEK2 (0.55) CHEK2EPHX2SCN9ALIPEALOX5AP
SCHEMBL13122449 0.89 CHEK2 (0.55) CHEK2SCN9ALIPEALOX5APFEN1
SCHEMBL4510756 0.89 CHEK2 (0.55) CHEK2SCN9ALIPEALOX5APFEN1
SCHEMBL1769253 0.89 CHEK2 (0.56) CHEK2SCN9AALOX5APFEN1GPR119
SCHEMBL13107010 0.88 EPHX2 (0.53) CHEK2EPHX2CHRNA7
SCHEMBL17729089 0.87 CHEK2 (0.56) CHEK2SCN9AALOX5APFEN1GPR119
SCHEMBL3443787 0.86 CHEK2 (0.56) CHEK2SCN9AALOX5APFEN1KDM1A
SCHEMBL3443784 0.86 CHEK2 (0.56) CHEK2SCN9AALOX5APFEN1KDM1A
SCHEMBL7356793 0.86 CHEK2 (0.60) CHEK2SCN9AALOX5APFEN1GPR119
SCHEMBL7366249 0.85 CHEK2 (0.58) CHEK2SCN9AALOX5APFEN1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-10-15 US disclosed
US-7517892-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2009-04-14 US disclosed
US-7517892-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2009-04-14 US disclosed
US-7294637-B2 Method of treating addiction or dependence using a ligand for a monamine receptor or transporter SEPRACOR, INC. (US) 2007-11-13 US disclosed
US-7294637-B2 Method of treating addiction or dependence using a ligand for a monamine receptor or transporter SEPRACOR, INC. (US) 2007-11-13 US disclosed
US-7294637-B2 Method of treating addiction or dependence using a ligand for a monamine receptor or transporter SEPRACOR, INC. (US) 2007-11-13 US disclosed
US-7132551-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2006-11-07 US disclosed
US-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter SEPRACOR, INC. (US) 2005-04-14 US disclosed
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof AQUILA BRIAN M (US) 2004-04-22 US disclosed
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-03-13 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 (4 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-20050080078-A1 Method of treating addiction or dependence using a ligand for a monoamine receptor or transporter PNMT, TAAR1, OPRL1 CHEK2 4467/4885EPHX2 3504/4885SCN9A 3135/4885
US-20030050309-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 CHEK2 3982/4885EPHX2 1367/4885SCN9A 1553/4885
US-20040077706-A1 Ligands for monoamine receptors and transporters, and methods of use thereof SLC6A2, OPRL1, SLC18A2 CHEK2 3982/4885EPHX2 1367/4885SCN9A 1553/4885
US-20090258901-A1 LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF SLC6A2, OPRL1, SLC18A2 CHEK2 3982/4885EPHX2 1367/4885SCN9A 1553/4885

“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.