SCHEMBL20008720

SCHEMBL20008720

CNCCCCCC(=O)NC(CCCCNC(=O)CCOc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.44
ITGA2B P08514 9/20 0.44
FTO Q9C0B1 1/20 0.42
PRSS1 P07477 6/20 0.40
TMPRSS15 P98073 5/20 0.40
TMPRSS2 O15393 1/20 0.40
MLNR O43193 1/20 0.40
ALDH1A1 P00352 1/20 0.40
F2 P00734 1/20 0.40
C1R P00736 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
F12 P00748 1/20 0.40
LMNA P02545 1/20 0.40
HPN P05981 1/20 0.40
KLK1 P06870 1/20 0.40
CHRM2 P08172 1/20 0.40
C1S P09871 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL20008712 0.97 ITGB3 (0.44) ITGB3ITGA2BFTOPRSS1TMPRSS15
SCHEMBL20008713 0.94 FTO (0.42) ITGB3ITGA2BFTOPRSS1TMPRSS15
SCHEMBL20008721 0.94 ITGB3 (0.48) ITGB3ITGA2BPRSS1TMPRSS15NOD1
SCHEMBL20008719 0.91 ITGB3 (0.48) ITGB3ITGA2BPRSS1TMPRSS15NOD1
SCHEMBL20008718 0.87 ITGB3 (0.46) ITGB3ITGA2BPRSS1TMPRSS15FOLH1
SCHEMBL20008716 0.80 TMPRSS15 (0.44) ITGB3ITGA2BFTOPRSS1TMPRSS15
SCHEMBL20008717 0.79 ITGB3 (0.51) ITGB3ITGA2BPRSS1TMPRSS15FOLH1
SCHEMBL20008696 0.77 ITGB3 (0.52) ITGB3ITGA2BNOD1
SCHEMBL20008757 0.76 F12 (0.51) ITGB3ITGA2BFTOPRSS1TMPRSS2
SCHEMBL20008744 0.75 FTO (0.46) ITGB3ITGA2BFTOPRSS1TMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 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 (1 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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 ITGB3 2592/4885ITGA2B 2485/4885FTO 338/4885

“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.