SCHEMBL659913

SCHEMBL659913

CCOC(=O)Cn1cnc2[nH]c(=O)n(C)c(=O)c21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
CYP3A4 P08684 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
CNOT7 Q9UIV1 3/20 0.46
RXFP1 Q9HBX9 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 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
SCHEMBL661486 0.87 CNOT7 (0.47) TSHRLMNASMN1; SMN2CNOT7KMT2A
SCHEMBL17204903 0.84 MAPT (0.51) TSHRLMNAALDH1A1MAPTCYP3A4
SCHEMBL2092267 0.83 CNOT7 (0.41) TSHRLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL1065735 0.83 LMNA (0.59) TSHRLMNAALDH1A1MAPTCYP3A4
SCHEMBL15384231 0.82 ALDH1A1 (0.57) TSHRLMNAALDH1A1MAPTCYP3A4
SCHEMBL16675439 0.80 ALDH1A1 (0.53) TSHRLMNAALDH1A1CYP3A4PMP22
SCHEMBL13217674 0.80 ALDH1A1 (0.66) TSHRLMNAALDH1A1MAPTCYP3A4
SCHEMBL14507745 0.79 ALDH1A1 (0.57) TSHRLMNAALDH1A1MAPTCYP3A4
SCHEMBL21133686 0.78 ALDH1A1 (0.56) TSHRLMNAALDH1A1MAPTCYP3A4
SCHEMBL4534193 0.77 LMNA (0.62) TSHRLMNAALDH1A1MAPTCYP3A4

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 77 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
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
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-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 US disclosed
US-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US 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
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
WO-2009002933-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. (US) 2008-12-31 WO disclosed
EP-1962855-A2 TRPA1 INHIBITORS FOR TREATING PAIN Hydra Biosciences, Inc. (US) 2008-09-03 EP disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 US disclosed
WO-2007073505-A2 TRPA1 INHIBITORS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2007-06-28 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 TSHR 4745/4885LMNA 594/4885ALDH1A1 1104/4885
US-10351567-B2 Methods and compositions for treating pain ACHE, COL2A1, MMP8 TSHR 4859/4885LMNA 1619/4885ALDH1A1 540/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 TSHR 3225/4885LMNA 819/4885ALDH1A1 968/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 TSHR 4745/4885LMNA 594/4885ALDH1A1 1104/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 TSHR 2721/4885LMNA 3299/4885ALDH1A1 313/4885

“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.