Sugi Predict

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SCHEMBL1856992

SCHEMBL1856992

N#CCn1/c(=N\C#N)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 13/20 0.69
▸ OPRL1 P41146 11/20 0.69
▸ OPRK1 P41145 9/20 0.69
▸ OPRD1 P41143 8/20 0.69
▸ OGFRL1 Q5TC84 8/20 0.48
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ SLC18A3 Q16572 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL1856995 1.00 OPRM1 (0.69) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL1857406 0.89 OPRL1 (0.63) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL1857407 0.89 OPRL1 (0.63) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL1857114 0.87 OPRM1 (0.54) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL1861746 0.85 OPRL1 (0.57) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL1865182 0.85 OPRM1 (0.53) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL1866296 0.85 OPRL1 (0.53) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL1866294 0.85 OPRL1 (0.53) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL1861750 0.85 OPRL1 (0.57) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL15853828 0.84 OPRM1 (0.69) OPRM1OPRL1OPRK1OPRD1OGFRL1

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
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 claimed
EP-1379246-B1 NOCICEPTIN ANALOGS EURO CELTIQUE SA (LU) 2008-10-08 — — EP claimed
US-6867222-B2 Nociceptin analogs EURO-CELTIQUE, S.A. (LU) 2005-03-15 — — 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-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-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-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
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.