Sugi Predict

Sugi Predict / Compounds / SCHEMBL1855737

SCHEMBL1855737

SCHEMBL1855737

C/C=C1\C(=O)N(C2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.52
▸ OPRL1 P41146 5/20 0.51
▸ OPRM1 P35372 4/20 0.51
▸ DRD2 P14416 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MCHR1 Q99705 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ CHKA P35790 1/20 0.42
▸ OPRK1 P41145 1/20 0.42

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
SCHEMBL1855738 1.00 ACHE (0.52) ACHEOPRL1OPRM1DRD2SLC6A4
SCHEMBL1861203 0.87 OPRM1 (0.55) ACHEOPRL1OPRM1DRD2SLC6A4
SCHEMBL1861204 0.87 OPRM1 (0.55) ACHEOPRL1OPRM1DRD2SLC6A4
SCHEMBL1865217 0.82 OPRM1 (0.49) ACHEOPRL1OPRM1DRD2SLC6A4
SCHEMBL1865216 0.82 OPRM1 (0.49) ACHEOPRL1OPRM1DRD2SLC6A4
SCHEMBL1861106 0.82 OPRL1 (0.54) OPRL1OPRM1KMT2AMEN1OPRK1
SCHEMBL1861104 0.82 OPRL1 (0.54) OPRL1OPRM1KMT2AMEN1OPRK1
SCHEMBL1859919 0.76 OPRL1 (0.57) OPRL1OPRM1DRD2SLC6A4SIGMAR1
SCHEMBL1859918 0.76 OPRL1 (0.57) OPRL1OPRM1DRD2SLC6A4SIGMAR1
SCHEMBL1860312 0.75 OPRM1 (0.74) ACHEOPRL1OPRM1OPRK1

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 25 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-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 claimed
EP-1598338-B1 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) 2009-02-18 — — 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-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 ACHE 570/4885OPRL1 1/4885OPRM1 8/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 ACHE 570/4885OPRL1 1/4885OPRM1 8/4885
US-20030069249-A1 Nociceptin analogs OPRL1, NPY1R, OPRK1 ACHE 854/4885OPRL1 1/4885OPRM1 4/4885
US-20050159452-A1 Nociceptin analogs OPRL1, NPY1R, NPBWR1 ACHE 570/4885OPRL1 1/4885OPRM1 8/4885

“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.