SCHEMBL5765565

SCHEMBL5765565

CC(C)(C)ON(C=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
HTR2A P28223 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
IDO1 P14902 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL5373022 0.80 ADH1B (0.42) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7061205 0.77 RAB9A (0.40) LMNASMN1; SMN2GAAHTTRAB9A
SCHEMBL9058794 0.76 CRHBP (0.46) CHRM2IDO1LOXL2
SCHEMBL445466 0.74 KCNH2 (0.48) IDO1LOXL2
SCHEMBL7064438 0.70 CYP1A2 (0.49) CHRM2MEN1KMT2ALMNAMAPT
SCHEMBL3390506 0.70 CHRM2 (0.50) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL628651 0.70 CHRM2 (0.72) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL9871561 0.70 CHRM2 (0.53) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL14128576 0.69 CHRM2 (0.49) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL9969496 0.68 CHRM2 (0.64) CHRM2PTPRFPTPN2PTPN1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244660-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-03-22 EP disclosed
US-20030181449-A1 Methods and compositions for the treatment of pain ASTRAZENCA AB (SE) 2003-09-25 US disclosed
EP-1244660-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001047924-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 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-20030181449-A1 Methods and compositions for the treatment of pain OPRK1, ACHE, OPRD1 CHRM2 69/4885PTPRF 3203/4885PTPN2 4086/4885

“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.