SCHEMBL1587572

SCHEMBL1587572

F[C](F)C(F)c1ccc[nH]1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL3295069 0.75
Hydrogen Sulfide SCHEMBL28275355 0.73
SCHEMBL28914873 0.73 DAO (0.32) DAOHDAC8HDAC6
SCHEMBL8526058 0.71 DAO (0.30) DAOHDAC8HDAC6
SCHEMBL28863955 0.71
SCHEMBL4409393 0.70
SCHEMBL10366551 0.70 DAO (0.37) DAOHDAC8HDAC6
Thiourea SCHEMBL28276604 0.70 CYP1A2 (0.35) DAOHDAC8HDAC6
SCHEMBL1345605 0.69 DAO (0.35) DAOHDAC8HDAC6
SCHEMBL6547242 0.68 DAO (0.33) DAO

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252815-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2012-08-28 US claimed
US-20120095049-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2012-04-19 US claimed
EP-2172468-A1 Benzimidazolone compounds EURO-CELTIQUE S.A. (LU) 2010-04-07 EP claimed
EP-1975164-B1 Octahydrobenzimidazolone compounds as analgetics EURO CELTIQUE SA (LU) 2010-01-27 EP claimed
US-20090253727-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2009-10-08 US claimed
US-7563809-B2 Nociceptin analogs PURDUE PHARMA, L.P. (US) 2009-07-21 US claimed
US-20090156640-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE S.A. 2009-06-18 US claimed
EP-2050450-A1 1-Piperidine-2-cyanoimino-1,3-dihydro-2H-benzimidazole derivatives as nociceptin analogs with ORL1 modulating activity for the treatment of pain EURO-CELTIQUE S.A. (LU) 2009-04-22 EP claimed
EP-1997818-A2 Quinolinone derivatives and their use to treat pain EURO-CELTIQUE S.A. (LU) 2008-12-03 EP claimed
EP-1379246-B1 NOCICEPTIN ANALOGS EURO CELTIQUE SA (LU) 2008-10-08 EP claimed
EP-1379252-A2 NOCICEPTIN ANALOGS Euro-Celtique S.A. (LU) 2004-01-14 EP claimed
US-20030069249-A1 Nociceptin analogs PURDUE PHARMA L.P. 2003-04-10 US claimed
US-20030027834-A1 Spiropyrazole compounds PURDUE PHARMA L.P. 2003-02-06 US claimed
US-20030018041-A1 Spiroindene and spiroindane compounds PURDUE PHARMA L.P. 2003-01-23 US claimed
US-20030013874-A1 Nociceptin analogs PURDUE PHARMA L.P 2003-01-16 US claimed
US-20030008886-A1 Benzimidazolone compounds PURDUE PHARMA L.P. 2003-01-09 US claimed
WO-2002085355-A1 SPIROPYRAZOLE COMPOUNDS EURO-CELTIQUE, S.A. (LU) 2002-10-31 WO claimed
WO-2002085357-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE, S.A. (LU) 2002-10-31 WO claimed
WO-2002085354-A1 SPIROINDENE AND SPIROINDANE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2002-10-31 WO claimed
WO-2002085291-A2 NOCICEPTIN ANALOGS EURO-CELTIQUE, S.A. (LU) 2002-10-31 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20030008886-A1 Benzimidazolone compounds MRPS28, B2M, CCNI DAO 4044/4885HDAC8 987/4885HDAC6 460/4885
US-20030013874-A1 Nociceptin analogs OPRL1, OPRK1, NPBWR1 DAO 2486/4885HDAC8 3545/4885HDAC6 1671/4885
US-20090253727-A1 NOCICEPTIN ANALOGS OPRL1, NPBWR1, OPRK1 DAO 2721/4885HDAC8 3408/4885HDAC6 1423/4885
US-20090156640-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 DAO 2300/4885HDAC8 3353/4885HDAC6 1726/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 DAO 2300/4885HDAC8 3353/4885HDAC6 1726/4885
US-20030027834-A1 Spiropyrazole compounds REN, ADRA1B, NR3C2 DAO 3246/4885HDAC8 474/4885HDAC6 140/4885
US-20030069249-A1 Nociceptin analogs OPRL1, NPY1R, OPRK1 DAO 2346/4885HDAC8 3671/4885HDAC6 1972/4885
US-20030018041-A1 Spiroindene and spiroindane compounds NR3C2, REN, NR1I2 DAO 4067/4885HDAC8 771/4885HDAC6 741/4885

“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.