SCHEMBL10178119

SCHEMBL10178119

CCCn1c(=O)n(C)c(=O)c2c1ncn2CC(=O)NCCc1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 13/20 0.61
▸ PDE4B Q07343 13/20 0.61
▸ PDE4C Q08493 13/20 0.61
▸ PDE4D Q08499 13/20 0.61
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ ADORA2A P29274 8/20 0.56
▸ ADORA2B P29275 7/20 0.56
▸ TP53 P04637 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ TRPA1 O75762 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48

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
SCHEMBL18166531 0.92 CYP1A2 (0.59) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL10178028 0.92 CYP1A2 (0.59) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL18166730 0.91 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL18166533 0.90 CYP1A2 (0.56) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL18166674 0.90 CYP1A2 (0.61) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL1060801 0.89 CYP1A2 (0.72) CYP1A2CYP3A4ADORA2BTP53MAPK1
SCHEMBL10178118 0.89 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL18166542 0.83 CYP1A2 (0.57) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL18166736 0.83 CYP1A2 (0.72) CYP1A2CYP3A4ADORA2BTP53MAPK1
SCHEMBL1066761 0.80 CYP1A2 (0.71) CYP1A2CYP3A4ADORA2BTP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 — — US disclosed
EP-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 — — EP disclosed
EP-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 — — EP disclosed
EP-3184527-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL LILLY CO ELI (US) 2020-01-29 — — EP disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 — — US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 — — US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 — — US disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 — — EP disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 — — US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 — — US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 — — US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 — — US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 — — US disclosed
WO-2010036821-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS HYDRA BIOSCIENCES, INC. (US) 2010-04-01 — — WO disclosed
WO-2009140517-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2009-11-19 — — WO disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 — — US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 — — US disclosed
WO-2009002933-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. (US) 2008-12-31 — — 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 (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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 PDE4A 1534/4885PDE4B 1751/4885PDE4C 1169/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 PDE4A 1105/4885PDE4B 1328/4885PDE4C 1668/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 PDE4A 1161/4885PDE4B 1221/4885PDE4C 1746/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 PDE4A 1534/4885PDE4B 1751/4885PDE4C 1169/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 PDE4A 1105/4885PDE4B 1328/4885PDE4C 1668/4885

“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.

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