SCHEMBL17069

SCHEMBL17069

c1ccc(COC[C@H]2CNCCN2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.61
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRM3 P20309 1/20 0.43
CHRNA4 P43681 1/20 0.43
TACR1 P25103 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL6299585 1.00 LTA4H (0.61) LTA4HBCHEACHELMNATSHR
SCHEMBL17070 1.00 LTA4H (0.61) LTA4HBCHEACHELMNATSHR
Hydrochloric Acid SCHEMBL16258 0.98 LTA4H (0.59) LTA4HBCHEACHELMNATSHR
Hydrochloric Acid SCHEMBL16259 0.98 LTA4H (0.59) LTA4HBCHEACHELMNATSHR
SCHEMBL3906686 0.86 BCHE (0.55) LTA4HBCHEACHELMNATSHR
SCHEMBL8935940 0.85 LTA4H (0.46) LTA4HBCHEACHELMNATSHR
SCHEMBL8935795 0.85 LTA4H (0.46) LTA4HBCHEACHELMNATSHR
SCHEMBL10517572 0.84 BCHE (0.54) LTA4HBCHEACHELMNATSHR
SCHEMBL10517566 0.84 BCHE (0.54) LTA4HBCHEACHELMNATSHR
SCHEMBL3495293 0.84 LTA4H (0.51) LTA4HBCHEACHELMNATSHR

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
EP-2794611-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2017-10-11 EP disclosed
WO-2013123444-A1 SULFONYL COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2013-08-22 WO disclosed
EP-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 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 (2 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-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 LTA4H 4167/4885BCHE 4336/4885ACHE 4306/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 LTA4H 4238/4885BCHE 4547/4885ACHE 4210/4885

“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.