SCHEMBL1859161

SCHEMBL1859161

CCn1c(=O)n(C(C)CCC(C)C)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.52
SLC6A4 P31645 3/20 0.52
ALDH1A1 P00352 5/20 0.41
PGR P06401 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
MAPK8 P45983 1/20 0.37
GABRA5 P31644 1/20 0.37
OPRL1 P41146 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL10072057 0.85 SLC6A2 (0.52) SLC6A2SLC6A4ALDH1A1PGRKDM4E
SCHEMBL6909093 0.82 SLC6A2 (0.55) SLC6A2SLC6A4ALDH1A1PGRKDM4E
SCHEMBL14663982 0.76 SLC6A2 (0.50) SLC6A2SLC6A4ALDH1A1PGRKDM4E
SCHEMBL4621924 0.75 ALDH1A1 (0.59) SLC6A2SLC6A4ALDH1A1PGRKDM4E
SCHEMBL14828688 0.75 SLC6A2 (0.50) SLC6A2SLC6A4ALDH1A1PGRMAPK1
SCHEMBL14664158 0.72 SLC6A2 (0.47) SLC6A2SLC6A4ALDH1A1KDM4EHPGD
SCHEMBL9631422 0.71 ALDH1A1 (0.50) SLC6A2SLC6A4ALDH1A1PGRKDM4E
SCHEMBL3142368 0.71 SLC6A2 (0.72) SLC6A2SLC6A4
SCHEMBL3137238 0.71 SLC6A2 (0.72) SLC6A2SLC6A4ALDH1A1PGR
SCHEMBL3133100 0.71 SLC6A2 (0.72) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1598339-A1 1-(4-AMINO-CYCLOHEXYL)-1,3-DIHYDRO-2H-BENZIMIDAZOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO-CELTIQUE S.A. (LU) 2005-11-23 EP claimed
US-20050159452-A1 Nociceptin analogs PURDUE PHARMA L.P. 2005-07-21 US claimed
US-20030069249-A1 Nociceptin analogs PURDUE PHARMA L.P. 2003-04-10 US claimed
US-8252815-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2012-08-28 US disclosed
US-20120095049-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2012-04-19 US disclosed
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 US disclosed
EP-1598338-B9 1-(4-PIPERIDINYL)-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO CELTIQUE SA (LU) 2009-11-18 EP disclosed
EP-1598339-B1 1-(4-AMINO-CYCLOHEXYL)-1,3-DIHYDRO-2H-BENZIMIDAZOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO CELTIQUE SA (LU) 2009-06-24 EP disclosed
US-20090156640-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE S.A. 2009-06-18 US disclosed
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 disclosed
EP-1598340-B1 1-(4-PIPERIDINYL)-1,3-DIHYDRO-2H-BENZOXAZOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO CELTIQUE SA (LU) 2009-03-04 EP disclosed
EP-1379246-B1 NOCICEPTIN ANALOGS EURO CELTIQUE SA (LU) 2008-10-08 EP disclosed
EP-1930322-A1 1-(4-piperidinyl)-1,3-dihydro-2H-benzoxazole-2-one derivatives and related compounds as nociceptin analogs and ORL1 ligands for the treatment of pain EURO-CELTIQUE S.A. (LU) 2008-06-11 EP disclosed
EP-1918279-A2 1-(4-piperidinyl)-1,3-dihydro-2h-benzoxazole-2-one derivatives and related compounds as nociceptin analogs and opioid receptor like receptor (ORL1) ligands for the treatment of pain EURO-CELTIQUE S.A. (LU) 2008-05-07 EP disclosed
EP-1598340-A1 1-(4-PIPERIDINYL)-1,3-DIHYDRO-2H-BENZOXAZOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO-CELTIQUE S.A. (LU) 2005-11-23 EP disclosed
EP-1598339-A1 1-(4-AMINO-CYCLOHEXYL)-1,3-DIHYDRO-2H-BENZIMIDAZOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO-CELTIQUE S.A. (LU) 2005-11-23 EP disclosed
EP-1598338-A1 1-(4-PIPERIDINYL)-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO-CELTIQUE S.A. (LU) 2005-11-23 EP disclosed
US-20050159452-A1 Nociceptin analogs PURDUE PHARMA L.P. 2005-07-21 US disclosed
US-6867222-B2 Nociceptin analogs EURO-CELTIQUE, S.A. (LU) 2005-03-15 US disclosed
US-20030069249-A1 Nociceptin analogs PURDUE PHARMA L.P. 2003-04-10 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 (4 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-20090156640-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 SLC6A2 532/4885SLC6A4 475/4885ALDH1A1 2797/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 SLC6A2 532/4885SLC6A4 475/4885ALDH1A1 2797/4885
US-20030069249-A1 Nociceptin analogs OPRL1, NPY1R, OPRK1 SLC6A2 660/4885SLC6A4 621/4885ALDH1A1 2130/4885
US-20050159452-A1 Nociceptin analogs OPRL1, NPY1R, NPBWR1 SLC6A2 532/4885SLC6A4 475/4885ALDH1A1 2797/4885

“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.