SCHEMBL3262445

SCHEMBL3262445

CCC(O[N+](=O)[O-])C(=O)NCC(CCC(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35

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
SCHEMBL3258681 0.72 CPA1 (0.36) CPA1SLC1A3SLC1A2SLC1A1
SCHEMBL2011076 0.71 SMN1; SMN2 (0.37) CPA1
SCHEMBL2014543 0.70 ALDH1A1 (0.31)
Ethane SCHEMBL2015992 0.69 SMN1; SMN2 (0.36) CPA1
Methane SCHEMBL2010336 0.69 SMN1; SMN2 (0.36) CPA1
SCHEMBL4007890 0.67 SLC1A2 (0.49) SLC1A3SLC1A2SLC1A1
SCHEMBL584092 0.65 CA2 (0.60) CPA1SLC1A3SLC1A2SLC1A1
SCHEMBL18307368 0.65 CA2 (0.60) CPA1SLC1A3SLC1A2SLC1A1
SCHEMBL2010335 0.65 CA1 (0.37)
SCHEMBL14894476 0.65 CHRM1 (0.41) CPA1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101830824-A The medicine of treatment chronic pain NICOX SA 2010-09-15 CN claimed
US-7642289-B2 Drugs for chronic pain NICOX S.A. (FR) 2010-01-05 US claimed
US-20060270608-A1 Drugs for chronic pain NICOX S.A. (FR) 2006-11-30 US claimed
CN-1729160-A Medicine for treating chronic pain NICOX SA (FR) 2006-02-01 CN claimed
CN-1729160-B Medicine for treating chronic pain NICOX SA 2011-08-03 CN disclosed
US-7858665-B2 Drugs for chronic pain NICOX S.A. (FR) 2010-12-28 US disclosed
CN-101830824-A The medicine of treatment chronic pain NICOX SA 2010-09-15 CN disclosed
US-7642289-B2 Drugs for chronic pain NICOX S.A. (FR) 2010-01-05 US disclosed
US-20090239832-A1 DRUGS FOR CHRONIC PAIN NICOX SA (FR) 2009-09-24 US disclosed
US-20060270608-A1 Drugs for chronic pain NICOX S.A. (FR) 2006-11-30 US disclosed
CN-1729160-A Medicine for treating chronic pain NICOX SA (FR) 2006-02-01 CN 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-20090239832-A1 DRUGS FOR CHRONIC PAIN OPRK1, OPRL1, OPRD1 CPA1 4057/4885SLC1A3 402/4885SLC1A2 200/4885
US-20060270608-A1 Drugs for chronic pain OPRK1, OPRL1, OPRD1 CPA1 4057/4885SLC1A3 402/4885SLC1A2 200/4885

“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.