SCHEMBL1859277

SCHEMBL1859277

CCn1c(=O)n(Cc2ccc(OCc3ccccc3)cc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ TP53 P04637 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ RAB9A P51151 1/20 0.49
▸ GRM2 Q14416 1/20 0.48
▸ FAAH O00519 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ KDM4C Q9H3R0 1/20 0.46
▸ S1PR5 Q9H228 1/20 0.46

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
SCHEMBL1863037 0.85 KMT2A (0.61) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1860751 0.80 KMT2A (0.52) KMT2AMEN1KDM4EFAAHMGLL
SCHEMBL6747365 0.77 KMT2A (0.51) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1857784 0.74 VDR (0.50) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9981050 0.74 NPC1 (0.53) KMT2ATP53MEN1NPC1KDM4E
SCHEMBL4621924 0.73 ALDH1A1 (0.59) KMT2AMEN1NPC1KDM4EALDH1A1
SCHEMBL4701221 0.73 NPC1 (0.54) KMT2ATP53MEN1NPC1KDM4E
SCHEMBL8352700 0.72 P2RX4 (0.67) KMT2ATP53MEN1KDM4ESMN1; SMN2
SCHEMBL5324208 0.71 ALDH1A1 (0.67) KMT2AMEN1NPC1KDM4EALDH1A1
SCHEMBL224213 0.71 MAOB (0.49) KMT2ATP53MEN1NPC1KDM4E

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
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 claimed
US-20050159452-A1 Nociceptin analogs PURDUE PHARMA L.P. 2005-07-21 — — 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-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
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 KMT2A 3217/4885TP53 4817/4885MEN1 2539/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 KMT2A 3217/4885TP53 4817/4885MEN1 2539/4885
US-20030069249-A1 Nociceptin analogs OPRL1, NPY1R, OPRK1 KMT2A 3518/4885TP53 4862/4885MEN1 2237/4885
US-20050159452-A1 Nociceptin analogs OPRL1, NPY1R, NPBWR1 KMT2A 3217/4885TP53 4817/4885MEN1 2539/4885

“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.

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