SCHEMBL1859445

SCHEMBL1859445

CC1CN(CCC(c2ccccc2)c2ccccc2)CCC1N1C(=O)Cc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.49
OPRL1 P41146 9/20 0.49
OPRK1 P41145 6/20 0.49
HTR7 P34969 4/20 0.47
HTR1A P08908 2/20 0.47
MTR Q99707 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
KCNA3 P22001 1/20 0.44

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
SCHEMBL2604444 0.83 OPRM1 (0.67) OPRM1OPRL1OPRK1
SCHEMBL1861481 0.83 OPRM1 (0.67) OPRM1OPRL1OPRK1
SCHEMBL10264706 0.83 OPRM1 (0.67) OPRM1OPRL1OPRK1
SCHEMBL1864606 0.83 OPRM1 (0.66) OPRM1OPRL1OPRK1HTR7MTR
SCHEMBL1860091 0.81 OPRM1 (0.68) OPRM1OPRL1OPRK1HTR7HTR1A
SCHEMBL1859959 0.78 OPRM1 (0.74) OPRM1OPRL1OPRK1KCNA3
SCHEMBL1860712 0.75 OPRM1 (0.50) OPRM1OPRL1OPRK1CHRNB4CHRNA3
SCHEMBL3872192 0.73 OPRL1 (0.59) OPRM1OPRL1OPRK1MTRKCNA3
SCHEMBL1863065 0.72 OPRM1 (0.72) OPRM1OPRL1OPRK1
SCHEMBL1862089 0.71 OPRM1 (0.74) OPRM1OPRL1OPRK1CHRNB4CHRNA3

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 23 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-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-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-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-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.