SCHEMBL409824

SCHEMBL409824

CN(C)C(=O)COc1ccc(NCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.56
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
OPRM1 P35372 1/20 0.48
DNM1 Q05193 5/20 0.46
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
DNMT1 P26358 1/20 0.36

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
SCHEMBL16709581 0.95 TSPO (0.52) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL19547481 0.88 TSPO (0.58) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL410648 0.88 TSPO (0.56) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL18721926 0.87 TSPO (0.57) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL410326 0.83 TSPO (0.52) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL410544 0.81 TSPO (0.78) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL19559321 0.81 TSPO (0.50) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL19559315 0.79 TSPO (0.62) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL19547504 0.79 TSPO (0.56) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL408200 0.78 TSPO (0.61) TSPOCYP1A2CYP2C19OPRM1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180318255-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-11-08 US claimed
EP-2590647-B1 PRO-NEUROGENIC COMPOUNDS UNIV TEXAS (US) 2017-11-08 EP claimed
EP-2925129-A1 PRO-NEUROGENIC COMPOUNDS Board of Regents of the University of Texas System (US) 2015-10-07 EP claimed
WO-2014031125-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 WO claimed
EP-2590647-A2 PRO-NEUROGENIC COMPOUNDS Board of Regents of the University of Texas System (US) 2013-05-15 EP claimed
US-20130040977-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2013-02-14 US claimed
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 US claimed
WO-2012006419-A2 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO claimed
US-20190218203-A1 Neuroprotective Compounds and Use Thereof UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2019-07-18 US disclosed
US-10183011-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-22 US disclosed
US-10183011-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-22 US disclosed
US-20180318255-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-11-08 US disclosed
US-20180127367-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-05-10 US disclosed
US-20180127367-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-05-10 US disclosed
US-20130040977-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2013-02-14 US disclosed
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 US disclosed
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 US disclosed
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-26 US disclosed
WO-2012006419-A2 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO disclosed
WO-2012006419-A2 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 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 (6 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-20190218203-A1 Neuroprotective Compounds and Use Thereof NLN, GAP43, BDNF TSPO 414/4885CYP1A2 4824/4885CYP2C19 4884/4885
US-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BDNF, GAP43, DCX TSPO 2470/4885CYP1A2 4486/4885CYP2C19 4751/4885
US-20180127367-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2470/4885CYP1A2 4486/4885CYP2C19 4751/4885
US-20180318255-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2470/4885CYP1A2 4486/4885CYP2C19 4751/4885
US-10183011-B2 Anti-depression compounds BDNF, DCX, GAP43 TSPO 2600/4885CYP1A2 4439/4885CYP2C19 4750/4885
US-20130040977-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2470/4885CYP1A2 4486/4885CYP2C19 4751/4885

“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.