SCHEMBL745672

SCHEMBL745672

Nc1ccc(OCC2CCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.66
PARP10 Q53GL7 10/20 0.62
PARP15 Q460N3 9/20 0.62
PARP2 Q9UGN5 2/20 0.57
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL2657957 0.98 NFE2L2 (0.69) NFE2L2PARP10PARP15PARP2HPGD
SCHEMBL2563096 0.96 PARP10 (0.62) NFE2L2PARP10PARP15PARP2HPGD
Ethane SCHEMBL7214461 0.94 NFE2L2 (0.65) NFE2L2PARP10PARP15PARP2HPGD
SCHEMBL2565996 0.92 PARP15 (0.59) NFE2L2PARP10PARP15PARP2TDP1
SCHEMBL31434447 0.83 PARP15 (0.56) NFE2L2PARP10PARP15PARP2TDP1
SCHEMBL14320483 0.83 PARP15 (0.47) NFE2L2PARP10PARP15PARP2TDP1
SCHEMBL8178695 0.81 PARP10 (0.57) NFE2L2PARP10PARP15PARP2HPGD
SCHEMBL14549598 0.81 NFE2L2 (0.96) NFE2L2PARP10PARP15HPGDTDP1
SCHEMBL1674238 0.80 CXCR1 (0.50)
SCHEMBL7214458 0.80 PARP10 (0.56) NFE2L2PARP10PARP15PARP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US 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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL NFE2L2 1257/4885PARP10 2180/4885PARP15 1789/4885

“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.