SCHEMBL409626

SCHEMBL409626

COc1cccc(NCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 1.00
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
OPRM1 P35372 1/20 0.64
DNM1 Q05193 6/20 0.52
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
ERBB2 P04626 1/20 0.39
PTK6 Q13882 1/20 0.39
ELANE P08246 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL10287450 1.00 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL410188 1.00 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL18806386 1.00 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL410057 1.00 TSPO (1.00) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL28629825 0.91 TSPO (0.83) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL30897310 0.91 TSPO (0.83) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL30897306 0.91 TSPO (0.82) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL28635461 0.91 TSPO (0.82) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL18722015 0.88 TSPO (0.78) TSPOCYP1A2CYP2C19OPRM1DNM1
SCHEMBL410544 0.87 TSPO (0.78) 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 200 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218203-A1 Neuroprotective Compounds and Use Thereof UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2019-07-18 US claimed
US-10172827-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-08 US claimed
US-20180318255-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-11-08 US claimed
EP-2385829-B1 PRO-NEUROGENIC COMPOUNDS UNIV TEXAS (US) 2018-08-01 EP claimed
EP-2590647-B1 PRO-NEUROGENIC COMPOUNDS UNIV TEXAS (US) 2017-11-08 EP claimed
US-20170157092-A1 Anti-depression Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-06-08 US claimed
US-9616048-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-11 US claimed
US-20160362372-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-12-15 US claimed
US-20160272619-A1 Neuroprotective Compounds and Use Thereof UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-09-22 US claimed
EP-3068388-A2 NEUROPROTECTIVE COMPOUNDS AND USE THEREOF Board of Regents of the University of Texas System (US) 2016-09-21 EP 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-8362277-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 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
EP-2385829-A1 PRO-NEUROGENIC COMPOUNDS Board of Regents of the University of Texas System (US) 2011-11-16 EP claimed
US-8039041-B2 Electroluminescent devices with electrode protection CAMBRIDGE DISPLAY TECHNOLOGY, LTD. (GB) 2011-10-18 US claimed
US-20110015217-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-20 US claimed
US-20110003836-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-06 US claimed
WO-2010081115-A1 PRO-NEUROGENIC COMPOUNDS UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2010-07-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-10172827-B2 Pro-neurogenic compounds DCX, GAP43, BDNF TSPO 826/4885CYP1A2 4719/4885CYP2C19 4875/4885
US-20180318255-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2470/4885CYP1A2 4486/4885CYP2C19 4751/4885
US-20110015217-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF TSPO 826/4885CYP1A2 4719/4885CYP2C19 4875/4885
US-20160272619-A1 Neuroprotective Compounds and Use Thereof NLN, BDNF, CASP3 TSPO 203/4885CYP1A2 4108/4885CYP2C19 4563/4885
US-20130040977-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2470/4885CYP1A2 4486/4885CYP2C19 4751/4885
US-20110003836-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF TSPO 794/4885CYP1A2 4709/4885CYP2C19 4868/4885
US-20160362372-A1 PRO-NEUROGENIC COMPOUNDS DCX, GAP43, BDNF TSPO 826/4885CYP1A2 4719/4885CYP2C19 4875/4885
US-20170157092-A1 Anti-depression Compounds BDNF, DCX, GAP43 TSPO 2600/4885CYP1A2 4439/4885CYP2C19 4750/4885

“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.