SCHEMBL175836

SCHEMBL175836

CN[C@H](CCC(N)=O)C(=O)O.CN[C@H](CCC(N)=O)C(=O)O.C[C@@H](O[C@H]1OCCN(Cc2nn([PH](=O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.61
TACR3 P29371 2/20 0.61
NR3C1 P04150 1/20 0.61
CYP3A4 P08684 1/20 0.61
FPR1 P21462 1/20 0.61
GPR183 P32249 1/20 0.61
OPRD1 P41143 1/20 0.61
GPR65 Q8IYL9 1/20 0.61
GPR35 Q9HC97 1/20 0.61
TACR2 P21452 1/20 0.42

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
SCHEMBL20826783 0.90 TACR1 (0.73) TACR1TACR3NR3C1CYP3A4FPR1
Meglumine SCHEMBL4915889 0.83 TACR1 (0.61) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL11929279 0.80 TACR1 (0.80) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL18388496 0.80 TACR1 (0.79) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL10281461 0.79 TACR1 (0.78) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL18211935 0.79 TACR1 (0.78) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL19853059 0.79 TACR1 (0.74) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL20369072 0.78 TACR1 (0.76) TACR1TACR3NR3C1CYP3A4FPR1
Fosaprepitant SCHEMBL21009635 0.78 TACR1 (0.73) TACR1TACR3NR3C1CYP3A4FPR1
Fosaprepitant SCHEMBL12903477 0.78 TACR1 (0.73) TACR1TACR3NR3C1CYP3A4FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008400-A1 METHODS OF TREATING AUTOIMMUNE, RESPIRATORY AND INFLAMMATORY DISORDERS BY INHALATION OF ROFLUMILAST N-OXIDE INCOZEN THERAPEUTICS PVT LTD (IN) 2022-01-13 US disclosed
EP-3763366-A1 ROFLUMILAST N-OXIDE FOR USE IN TREATING AUTOIMMUNE, RESPIRATORY AND INFLAMMATORY DISORDERS BY INHALATION Incozen Therapeutics Pvt. Ltd. (IN) 2021-01-13 EP disclosed
EP-2948148-B1 METHODS OF TREATING AUTOIMMUNE, RESPIRATORY AND INFLAMMATORY DISORDERS BY INHALATION OF ROFLUMILAST N-OXIDE INCOZEN THERAPEUTICS PVT LTD (IN) 2020-07-29 EP disclosed
US-10456390-B2 Combinations comprising MABA compounds and corticosteroids ALMIRALL, S.A. (ES) 2019-10-29 US disclosed
EP-3024459-B1 COMBINATIONS COMPRISING MABA COMPOUNDS AND CORTICOSTEROIDS ALMIRALL SA (ES) 2019-03-27 EP disclosed
US-20180200234-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND BETA-ADRENERGIC AGONISTS ALMIRALL, S.A. (ES) 2018-07-19 US disclosed
US-20170196843-A1 METHODS OF TREATING AUTOIMMUNE, RESPIRATORY AND INFLAMMATORY DISORDERS BY INHALATION OF ROFLUMILAST N-OXIDE INCOZEN THERAPEUTICS PVT LTD (IN) 2017-07-13 US disclosed
US-9649302-B2 Methods of treating autoimmune, respiratory and inflammatory disorders by inhalation of roflumilast N-oxide INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-05-16 US disclosed
US-20160175295-A1 COMBINATIONS COMPRISING MABA COMPOUNDS AND CORTICOSTEROIDS ALMIRALL, S.A. (ES) 2016-06-23 US disclosed
EP-3024459-A1 COMBINATIONS COMPRISING MABA COMPOUNDS AND CORTICOSTEROIDS Almirall S.A. (ES) 2016-06-01 EP disclosed
EP-1761279-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-03-14 EP disclosed
US-20060189651-A1 Combinations comprising antimuscarinic agents and beta-adrenergic agonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-24 US disclosed
US-20060154934-A1 Combinations comprising antimuscarinic agents and PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-07-13 US disclosed
US-20050288266-A1 Combinations comprising antimuscarinic agents and corticosteroids GRAS ESCARDO JORDI 2005-12-29 US disclosed
WO-2005115467-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND BETA-ADRENERGIC AGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
WO-2005115462-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
WO-2005115465-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND PDE4 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
WO-2005115463-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND BETA-ADRENERGIC AGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2005-12-08 WO disclosed
US-20050267135-A1 Combinations comprising antimuscarinic agents and PDE4 inhibitors ESCARDO JORDI G 2005-12-01 US disclosed
US-20050267078-A1 Combinations comprising antimuscarinic agents and beta-adrenergic agonists GRAS ESCARDO JORDI 2005-12-01 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 (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-20220008400-A1 METHODS OF TREATING AUTOIMMUNE, RESPIRATORY AND INFLAMMATORY DISORDERS BY INHALATION OF ROFLUMILAST N-OXIDE NOS3, NOS2, NOS1 TACR1 1131/4885TACR3 1848/4885NR3C1 885/4885
US-20060189651-A1 Combinations comprising antimuscarinic agents and beta-adrenergic agonists ADRB2, ADRB3, CHRM3 TACR1 72/4885TACR3 117/4885NR3C1 282/4885
US-20180200234-A1 COMBINATIONS COMPRISING ANTIMUSCARINIC AGENTS AND BETA-ADRENERGIC AGONISTS ADRB2, ADRB3, CHRM3 TACR1 72/4885TACR3 117/4885NR3C1 282/4885
US-20050267135-A1 Combinations comprising antimuscarinic agents and PDE4 inhibitors CHRM3, PDE4A, CHRM4 TACR1 141/4885TACR3 213/4885NR3C1 591/4885
US-20050267078-A1 Combinations comprising antimuscarinic agents and beta-adrenergic agonists ADRB2, ADRB3, CHRM3 TACR1 72/4885TACR3 117/4885NR3C1 282/4885
US-20160175295-A1 COMBINATIONS COMPRISING MABA COMPOUNDS AND CORTICOSTEROIDS ADRB2, ADRA2A, ADRA2B TACR1 810/4885TACR3 641/4885NR3C1 15/4885
US-20170196843-A1 METHODS OF TREATING AUTOIMMUNE, RESPIRATORY AND INFLAMMATORY DISORDERS BY INHALATION OF ROFLUMILAST N-OXIDE NOS3, NOS2, NOS1 TACR1 1131/4885TACR3 1848/4885NR3C1 885/4885
US-20060154934-A1 Combinations comprising antimuscarinic agents and PDE4 inhibitors CHRM3, PDE4A, CHRM4 TACR1 141/4885TACR3 213/4885NR3C1 591/4885
US-20050288266-A1 Combinations comprising antimuscarinic agents and corticosteroids CHRM3, CHRM2, CHRM1 TACR1 67/4885TACR3 153/4885NR3C1 18/4885
US-10456390-B2 Combinations comprising MABA compounds and corticosteroids ADRB2, ADRA2A, ADRA2B TACR1 810/4885TACR3 641/4885NR3C1 15/4885

“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.