SCHEMBL407152

SCHEMBL407152

CC(C)(C)OC(=O)n1c2ccc(C3CC3)cc2c2cc(C3CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA1 P14867 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRA6 Q16445 1/20 0.45
NAMPT P43490 1/20 0.43
PDE4B Q07343 1/20 0.41
GPR119 Q8TDV5 5/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 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
SCHEMBL19785407 0.83 PDE4B (0.45) GABRG2GABRB3GABRA5NAMPTPDE4B
SCHEMBL20699708 0.81 NR1H2 (0.41) NAMPTPDE4BGPR119HRH3IGF1R
SCHEMBL17027055 0.80 HTR6 (0.46) NAMPTPDE4BGPR119HRH3KDM4E
SCHEMBL20321048 0.79 NR1H2 (0.39) NAMPTPDE4BGPR119
SCHEMBL22438773 0.79 TLR9 (0.46) NAMPTPDE4BGPR119CHRM2CHRM4
SCHEMBL22374483 0.78 PDE4B (0.39) NAMPTPDE4BGPR119HRH3DDB1
SCHEMBL1144957 0.76 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL409607 0.76 CDK1 (0.54) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL10064601 0.76 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL579579 0.76 PDE4B (0.37) NAMPTPDE4BGPR119HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-108329253-A Preceding neurogenic compounds 得克萨斯州大学系统董事会 2018-07-27 CN 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-20180127367-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-05-10 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-8362277-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 US disclosed
US-8362277-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 US disclosed
US-8362277-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 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
US-20110003836-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-06 US disclosed
US-20110003836-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-06 US disclosed
US-20110003836-A1 Pro-Neurogenic Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-01-06 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 (5 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-20120022096-A1 PRO-NEUROGENIC COMPOUNDS BDNF, GAP43, DCX GABRG2 1270/4885GABRB3 387/4885GABRA5 1910/4885
US-20180127367-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX GABRG2 1270/4885GABRB3 387/4885GABRA5 1910/4885
US-20180318255-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX GABRG2 1270/4885GABRB3 387/4885GABRA5 1910/4885
US-10183011-B2 Anti-depression compounds BDNF, DCX, GAP43 GABRG2 1165/4885GABRB3 403/4885GABRA5 1874/4885
US-20110003836-A1 Pro-Neurogenic Compounds DCX, GAP43, BDNF GABRG2 566/4885GABRB3 123/4885GABRA5 598/4885

“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.