SCHEMBL3115405

SCHEMBL3115405

O=C(O)CC1(CNC(=O)Oc2cccc(CBr)c2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL27613683 0.91 ALDH1A1 (0.43) ALDH1A1HPGDTSHRUSP2EGLN2
SCHEMBL3111043 0.83 ALDH1A1 (0.40) ALDH1A1HPGDTSHRUSP2EGLN2
SCHEMBL8203208 0.78 ACHE (0.57) ALDH1A1HPGDTSHR
SCHEMBL12160221 0.76 FAAH (0.46) ALDH1A1EGLN2EGLN1KDM4E
SCHEMBL1745955 0.76 HTT (0.51) ALDH1A1HPGDUSP2EGLN2EGLN1
SCHEMBL14127245 0.76 ALDH1A1 (0.39) ALDH1A1HPGDTSHRUSP2EGLN2
SCHEMBL14127371 0.76 ALDH1A1 (0.39) ALDH1A1HPGDTSHREGLN2EGLN1
SCHEMBL3115401 0.76 ALDH1A1 (0.35) ALDH1A1HPGDTSHRUSP2KMT2A
SCHEMBL14127451 0.74 ACHE (0.41) ALDH1A1HPGDTSHREGLN2EGLN1
SCHEMBL14108578 0.73 SLC22A1 (0.43) ALDH1A1HPGDTSHREGLN2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858665-B2 Drugs for chronic pain NICOX S.A. (FR) 2010-12-28 US 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
EP-1572627-A1 DRUGS FOR CHRONIC PAIN Nicox S.A. (FR) 2005-09-14 EP disclosed
WO-2004054965-A1 DRUGS FOR CHRONIC PAIN NICOX S.A. (FR) 2004-07-01 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 (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 ALDH1A1 671/4885HPGD 628/4885TSHR 2361/4885
US-20060270608-A1 Drugs for chronic pain OPRK1, OPRL1, OPRD1 ALDH1A1 671/4885HPGD 628/4885TSHR 2361/4885

“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.