SCHEMBL10178199

SCHEMBL10178199

CC(C)(C)OC(=O)NCCc1nccn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.51
HSP90AB1 P08238 1/20 0.51
HSP90B1 P14625 1/20 0.51
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
IDO1 P14902 1/20 0.46
GNRHR P30968 1/20 0.45
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL16136314 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL8992439 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1GFERNAMPT
SCHEMBL16768665 0.80 HSP90AA1 (0.51) HSP90AA1HSP90AB1HSP90B1OPRD1MEN1
SCHEMBL23035056 0.78 ALDH1A1 (0.49) MEN1KMT2AALDH1A1GFERNAMPT
SCHEMBL10178069 0.78 ALDH1A1 (0.54) MEN1KMT2AALDH1A1GFERNAMPT
SCHEMBL5880647 0.77 CYP11B1 (0.61) IDO1GNRHRSIGMAR1NAMPT
SCHEMBL572740 0.77 IDO1 (0.60) IDO1SIGMAR1HDAC1ALDH1A1NAMPT
SCHEMBL10621322 0.76 HSP90AA1 (0.60) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2
SCHEMBL20451407 0.76 ALDH1A1 (0.49) ALDH1A1GFERNAMPT
Hydrochloric Acid SCHEMBL7877038 0.75 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSP90B1AGTR1AGTR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (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-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HSP90AA1 532/4885HSP90AB1 476/4885HSP90B1 454/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 HSP90AA1 297/4885HSP90AB1 264/4885HSP90B1 1192/4885

“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.