SCHEMBL1861402

SCHEMBL1861402

O=c1oc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 8/20 0.56
ADRA1A P35348 8/20 0.56
ADRA1B P35368 8/20 0.56
HTR2A P28223 1/20 0.56
HTR7 P34969 1/20 0.56
CYP2D6 P10635 2/20 0.56
CCR5 P51681 2/20 0.56
KCNA3 P22001 1/20 0.51
OPRM1 P35372 2/20 0.51
OPRL1 P41146 2/20 0.51
MTR Q99707 1/20 0.51
SCN1A P35498 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
PLD1 Q13393 1/20 0.50

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
SCHEMBL904904 0.86 ADRA1A (0.66) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL1855782 0.83 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL27048956 0.83 ADRA1D (0.60) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL1858158 0.78 OPRM1 (0.60) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL22605448 0.78 ADRA1D (0.57) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL1858543 0.76 DRD2 (0.51) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL6214279 0.75 CHRM4 (0.44) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL1862937 0.75 CHRM4 (0.56) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL904853 0.74 CCR3 (0.55) ADRA1DADRA1AADRA1BHTR2AHTR7
SCHEMBL13801284 0.74 CHRM4 (0.52) ADRA1DADRA1AADRA1BHTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156640-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE S.A. 2009-06-18 US claimed
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 claimed
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 claimed
EP-1379246-A4 NOCICEPTIN ANALOGS EURO CELTIQUE SA (LU) 2005-09-28 EP claimed
EP-1379246-A1 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
WO-2002085357-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE, S.A. (LU) 2002-10-31 WO 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-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-1379246-A4 NOCICEPTIN ANALOGS EURO CELTIQUE SA (LU) 2005-09-28 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
EP-1379246-A1 NOCICEPTIN ANALOGS Euro-Celtique S.A. (LU) 2004-01-14 EP disclosed
US-20030069249-A1 Nociceptin analogs PURDUE PHARMA L.P. 2003-04-10 US disclosed
WO-2002085357-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE, S.A. (LU) 2002-10-31 WO 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 ADRA1D 182/4885ADRA1A 116/4885ADRA1B 82/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 ADRA1D 182/4885ADRA1A 116/4885ADRA1B 82/4885
US-20030069249-A1 Nociceptin analogs OPRL1, NPY1R, OPRK1 ADRA1D 108/4885ADRA1A 85/4885ADRA1B 54/4885
US-20050159452-A1 Nociceptin analogs OPRL1, NPY1R, NPBWR1 ADRA1D 182/4885ADRA1A 116/4885ADRA1B 82/4885

“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.