SCHEMBL3278446

SCHEMBL3278446

CC(C)(C)ON(C=O)CC1(CC(=O)Oc2cccc(CO[N+](=O)[O-])c2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL3277632 0.86 ALDH1A1 (0.31)
SCHEMBL13105630 0.80 TMEM97 (0.36) TMEM97ALOX5
SCHEMBL7041223 0.79 CACNA1B (0.40) TMEM97ALOX5
Hydrochloric Acid SCHEMBL3277033 0.79 TMEM97 (0.35) TMEM97ALOX5
SCHEMBL3275975 0.74
SCHEMBL3277427 0.72 CA12 (0.40)
SCHEMBL3111043 0.69 ALDH1A1 (0.40) TMEM97
SCHEMBL3111040 0.69 TMEM97 (0.36) TMEM97ALOX5
SCHEMBL13120886 0.66 ACHE (0.37)
SCHEMBL17369724 0.66 MAOB (0.39) TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812039-B2 analgesic drug for treating neuropathic pain is selected from gabapentine, norvaline, pregabaline, (S)3-isobutylGABA, arginine, thiocitrulline, agmantine, vigabatrin etc. and a NO donar drugs belonging to the classes of aspirin, ibuprofen, paracetamol, naproxen, diclofenac or flurbiprofen NICOX S.A. (FR) 2010-10-12 US disclosed
US-7696230-B2 Drugs for chronic pains NICOX S.A. (FR) 2010-04-13 US disclosed
US-20080113950-A1 Drugs for chronic pains NICOX S.A. 2008-05-15 US disclosed
US-20070161576-A1 Drugs for chronic pains NICOX S.A. 2007-07-12 US disclosed
US-7199141-B2 Drugs for chronic pains NICOX S.A. (FR) 2007-04-03 US disclosed
US-20040171682-A1 Drugs for chronic pains NICOX S.A. (FR) 2004-09-02 US disclosed
EP-1417165-A2 DRUGS FOR CHRONIC PAINS Nicox S.A. (FR) 2004-05-12 EP disclosed
WO-2003000643-A1 NITRATE ESTER DERIVATIVES USEFUL FOR PREPARING DRUGS FOR EPILEPSY NICOX S.A. (FR) 2003-01-03 WO disclosed
WO-2003000642-A2 DRUGS FOR CHRONIC PAINS NICOX S.A. (FR) 2003-01-03 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 (3 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-20040171682-A1 Drugs for chronic pains OPRD1, OPRK1, OPRL1 TMEM97 971/4885ALOX5 500/4885
US-20080113950-A1 Drugs for chronic pains OPRD1, OPRL1, OPRK1 TMEM97 443/4885ALOX5 521/4885
US-20070161576-A1 Drugs for chronic pains OPRD1, OPRL1, OPRK1 TMEM97 1085/4885ALOX5 470/4885

“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.