SCHEMBL1860091

SCHEMBL1860091

CC1CN(CC2CCCCCCC2)CCC1N1C(=O)Cc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.68
OPRL1 P41146 12/20 0.68
OPRK1 P41145 12/20 0.68
KCNH2 Q12809 2/20 0.52
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
HTR7 P34969 3/20 0.45
HTR1A P08908 2/20 0.45

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
SCHEMBL1861481 0.82 OPRM1 (0.67) OPRM1OPRL1OPRK1KCNH2
SCHEMBL2604444 0.82 OPRM1 (0.67) OPRM1OPRL1OPRK1KCNH2
SCHEMBL10264706 0.82 OPRM1 (0.67) OPRM1OPRL1OPRK1KCNH2
SCHEMBL1859445 0.81 OPRM1 (0.49) OPRM1OPRL1OPRK1HTR7HTR1A
SCHEMBL1859950 0.81 OPRM1 (1.00) OPRM1OPRL1OPRK1KCNH2HTR7
SCHEMBL1862089 0.74 OPRM1 (0.74) OPRM1OPRL1OPRK1
SCHEMBL1860712 0.73 OPRM1 (0.50) OPRM1OPRL1OPRK1
SCHEMBL1855430 0.73 OPRL1 (0.73) OPRM1OPRL1OPRK1KCNH2CHRM4
SCHEMBL18781371 0.71 OPRL1 (0.61) OPRM1OPRL1OPRK1HTR7HTR1A
SCHEMBL18781369 0.71 OPRL1 (0.61) OPRM1OPRL1OPRK1HTR7HTR1A

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 24 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-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 claimed
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 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-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-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
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
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 OPRM1 8/4885OPRL1 1/4885OPRK1 5/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 OPRM1 8/4885OPRL1 1/4885OPRK1 5/4885
US-20030069249-A1 Nociceptin analogs OPRL1, NPY1R, OPRK1 OPRM1 4/4885OPRL1 1/4885OPRK1 3/4885
US-20050159452-A1 Nociceptin analogs OPRL1, NPY1R, NPBWR1 OPRM1 8/4885OPRL1 1/4885OPRK1 5/4885

“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.