SCHEMBL13773

SCHEMBL13773

C#CCOCCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KEAP1 Q14145 1/20 0.44
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
SCN1A P35498 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL9812537 0.84 POLB (0.61) POLBGAATSHRSMN1; SMN2KEAP1
SCHEMBL5322116 0.82 HRH3 (0.41) TSHRSMN1; SMN2ALDH1A1HRH3CYP1A2
SCHEMBL111438 0.81 TSHR (0.58) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL5327291 0.80 HRH3 (0.44) TSHRHRH3
SCHEMBL7106263 0.79 TSHR (0.61) POLBTSHRSMN1; SMN2KEAP1ALDH1A1
SCHEMBL24533526 0.78 KDM4E (0.40) GAASMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL7304959 0.77 POLB (0.42) POLBSMN1; SMN2ALDH1A1HRH3SIGMAR1
SCHEMBL22777137 0.77 TSHR (0.32) ACHEBCHEMAOAMAOBTSHR
Hydrochloric Acid SCHEMBL7311470 0.76 POLB (0.41) POLBSMN1; SMN2ALDH1A1HRH3CHRM2
SCHEMBL24533491 0.74 HRH3 (0.43) SMN1; SMN2ALDH1A1HRH3CYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-20180118754-A1 COMPOUNDS RESPIVERT LTD. (GB) 2018-05-03 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-9834560-B2 Compounds RESPIVERT LTD. (GB) 2017-12-05 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-20160264583-A1 COMPOUNDS RESPIVERT LTD. (GB) 2016-09-15 US disclosed
US-9321773-B2 Compounds Respivert, Ltd. (GB) 2016-04-26 US disclosed
US-9321773-B2 Compounds Respivert, Ltd. (GB) 2016-04-26 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
US-8741909-B2 PI3 kinase inhibitors RESPIVERT LTD. (GB) 2014-06-03 US disclosed
EP-2491037-B1 QUINAZOLIN-4(3H)-ONE DERIVATIVES USED AS PI3 KINASE INHIBITORS RESPIVERT LTD (GB) 2014-04-30 EP disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
US-20120208799-A1 COMPOUNDS RESPIVERT LTD (GB) 2012-08-16 US disclosed
WO-2011048111-A1 COMPOUNDS RESPIVERT LIMITED (GB) 2011-04-28 WO disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20160264583-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 POLB 1044/4885GAA 571/4885ACHE 1068/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 POLB 2470/4885GAA 1477/4885ACHE 4200/4885
US-20120208799-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 POLB 1044/4885GAA 571/4885ACHE 1068/4885
US-20180118754-A1 COMPOUNDS LTC4S, CYP11B2, LTB4R2 POLB 1044/4885GAA 571/4885ACHE 1068/4885

“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.