SCHEMBL10151033

SCHEMBL10151033

Cn1c(=O)c2c(ncn2CCCC(N)=O)n(C)c1=O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ ADORA2B P29275 10/20 0.70
▸ LMNA P02545 2/20 0.68
▸ PDE4A P27815 1/20 0.65
▸ PDE4B Q07343 1/20 0.65
▸ PDE4C Q08493 1/20 0.65
▸ PDE4D Q08499 1/20 0.65
▸ MAPT P10636 1/20 0.63
▸ TSHR P16473 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.60

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
SCHEMBL11205608 0.93 PDE4A (0.74) RXFP1MAPK1ADORA2BLMNAPDE4A
SCHEMBL10477410 0.89 RXFP1 (0.74) RXFP1MAPK1ADORA2BLMNAMAPT
SCHEMBL16120975 0.87 ADORA2B (0.88) RXFP1MAPK1ADORA2BLMNAMAPT
SCHEMBL16120979 0.87 ADORA2B (0.85) RXFP1MAPK1ADORA2BLMNAMAPT
SCHEMBL660023 0.86 ADORA2B (0.76) RXFP1MAPK1ADORA2BLMNAMAPT
Hydroxyamine SCHEMBL10853528 0.85 RXFP1 (0.77) RXFP1MAPK1ADORA2BLMNAPDE4A
SCHEMBL16120982 0.85 ADORA2B (0.85) RXFP1MAPK1ADORA2BLMNAMAPT
SCHEMBL16120983 0.85 ADORA2B (0.85) RXFP1MAPK1ADORA2BLMNAMAPT
SCHEMBL16121000 0.85 ADORA2B (0.85) RXFP1MAPK1ADORA2BLMNAMAPT
SCHEMBL16120999 0.85 ADORA2B (0.85) RXFP1MAPK1ADORA2BLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 — — US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 — — 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 RXFP1 3119/4885MAPK1 3067/4885ADORA2B 1599/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RXFP1 1374/4885MAPK1 3852/4885ADORA2B 176/4885

“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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