SCHEMBL14345716

SCHEMBL14345716

NCCCCNCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)C1OC1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.67
CHRNB4 P30926 3/20 0.67
CHRNA3 P32297 3/20 0.67
CHRNA4 P43681 3/20 0.67
GRIA1 P42261 9/20 0.63
CHRNA1 P02708 2/20 0.62
CHRNG P07510 2/20 0.62
CHRNB1 P11230 2/20 0.62
CHRND Q07001 2/20 0.62
GRIN1 Q05586 1/20 0.61
GRIN2A Q12879 1/20 0.61
GRM1 Q13255 1/20 0.61

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
SCHEMBL9089141 0.96 CHRND (0.61) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL9090677 0.88 CHRNA1 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL9091432 0.88 CHRNA1 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL240780 0.88 CHRNA1 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL7208901 0.87 CHRND (0.60) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL10632109 0.87 CHRND (0.51) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL30040212 0.83 CTSL (0.66) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL9089190 0.80 CAPN1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL10632510 0.78 CHRNA1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL15224395 0.78 CHRND (0.40) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating MED INSTITUTE, INC. 2007-12-20 US disclosed
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating MED INSTITUTE, INC. 2007-12-20 US disclosed
WO-2007081530-A2 ENDOLUMINAL MEDICAL DEVICE FOR LOCAL DELIVERY OF CATHEPSIN INHIBITORS MED INSTITUTE, INC. (US) 2007-07-19 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 (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-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating CTSS, CTSD, CTSV CHRNB2 3556/4885CHRNB4 3970/4885CHRNA3 4175/4885

“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.